3-(2-azanyl-2-oxidanylidene-ethyl)-N-cyclohexyl-4-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-[(4-ethoxyphenyl)methyl]-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-(4-ethoxybenzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-4-ium-1-carboxamide Formula: C30H41N8O3+ MolecularWeight: 561.69834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C30H40N8O3/c1-3-41-26-11-9-23(10-12-26)20-38(28-17-22(2)33-29(35-28)37-14-13-32-21-37)16-15-36(19-25(38)18-27(31)39)30(40)34-24-7-5-4-6-8-24/h9-14,17,21,24-25H,3-8,15-16,18-20H2,1-2H3,(H2-,31,34,39,40)/p+1