3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3,4-dimethoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3,4-dimethoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3,4-dimethoxyphenyl)methyl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(3,4-dimethoxyphenyl)methyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(3,4-dimethoxyphenyl)methyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-propyl-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C26H34ClN8O4+ MolecularWeight: 558.05236

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C26H33ClN8O4/c1-4-7-30-26(37)33-10-11-35(19(15-33)13-23(28)36,16-18-5-6-20(38-2)21(12-18)39-3)24-14-22(27)31-25(32-24)34-9-8-29-17-34/h5-6,8-9,12,14,17,19H,4,7,10-11,13,15-16H2,1-3H3,(H2-,28,30,36,37)/p+1