3-(2-azanyl-2-oxidanylidene-ethyl)-N-cyclohexyl-4-(2-imidazol-1-yl-6-propan-2-yl-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-propan-2-yl-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-isopropyl-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-propan-2-yl-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-propan-2-ylpyrimidin-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-isopropyl-pyrimidin-4-yl)-4-p-anisyl-piperazin-4-ium-1-carboxamide Formula: C31H43N8O3+ MolecularWeight: 575.72492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4CCCCC4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4CCCCC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C31H42N8O3/c1-22(2)27-18-29(36-30(35-27)38-14-13-33-21-38)39(20-23-9-11-26(42-3)12-10-23)16-15-37(19-25(39)17-28(32)40)31(41)34-24-7-5-4-6-8-24/h9-14,18,21-22,24-25H,4-8,15-17,19-20H2,1-3H3,(H2-,32,34,40,41)/p+1