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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-m-anisyl-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C30H35N8O4+ MolecularWeight: 571.6501

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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)NC4=CC=C(C=C4)OC)CC5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=C(C=C4)OC)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C30H34N8O4/c1-21-15-28(35-29(33-21)37-12-11-32-20-37)38(19-22-5-4-6-26(16-22)42-3)14-13-36(18-24(38)17-27(31)39)30(40)34-23-7-9-25(41-2)10-8-23/h4-12,15-16,20,24H,13-14,17-19H2,1-3H3,(H2-,31,34,39,40)/p+1