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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-N-cyclohexyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-N-cyclohexyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-N-cyclohexyl-4-homoveratryl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxamide Formula: C31H43N8O4+ MolecularWeight: 591.72432

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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)NC4CCCCC4)CCC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4CCCCC4)CCC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H42N8O4/c1-22-17-29(36-30(34-22)38-13-12-33-21-38)39(15-11-23-9-10-26(42-2)27(18-23)43-3)16-14-37(20-25(39)19-28(32)40)31(41)35-24-7-5-4-6-8-24/h9-10,12-13,17-18,21,24-25H,4-8,11,14-16,19-20H2,1-3H3,(H2-,32,35,40,41)/p+1