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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-p-anisyl-piperazin-4-ium-1-carboxamide Formula: C29H39N8O3+ MolecularWeight: 547.67176

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

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4CCCCC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H38N8O3/c1-21-16-27(34-28(32-21)36-13-12-31-20-36)37(19-22-8-10-25(40-2)11-9-22)15-14-35(18-24(37)17-26(30)38)29(39)33-23-6-4-3-5-7-23/h8-13,16,20,23-24H,3-7,14-15,17-19H2,1-2H3,(H2-,30,33,38,39)/p+1