2-methoxyethyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxylate

Systemtic Name: 2-methoxyethyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxylate Openeye Name: 2-methoxyethyl 3-(2-amino-2-oxo-ethyl)-4-[(3-chloro-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[(3-chloro-4-methoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazin-4-iumcarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-(2-amino-2-oxoethyl)-4-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(3-chloro-4-methoxy-benzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxylic acid 2-methoxyethyl ester Formula: C26H33ClN7O5+ MolecularWeight: 559.03712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OCCOC)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OCCOC)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H32ClN7O5/c1-18-12-24(31-25(30-18)33-7-6-29-17-33)34(16-19-4-5-22(38-3)21(27)13-19)9-8-32(15-20(34)14-23(28)35)26(36)39-11-10-37-2/h4-7,12-13,17,20H,8-11,14-16H2,1-3H3,(H-,28,35)/p+1