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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-p-anisyl-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C28H30ClN8O3+ MolecularWeight: 562.0426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C28H29ClN8O3/c1-40-23-9-7-20(8-10-23)18-37(26-16-24(29)33-27(34-26)36-12-11-31-19-36)14-13-35(17-22(37)15-25(30)38)28(39)32-21-5-3-2-4-6-21/h2-12,16,19,22H,13-15,17-18H2,1H3,(H2-,30,32,38,39)/p+1