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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-[2-(1-imidazolyl)-4-pyrimidinyl]-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-m-anisyl-piperazin-4-ium-1-carboxamide Formula: C28H37N8O3+ MolecularWeight: 533.64518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC1=CC=CC(=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C28H36N8O3/c1-39-24-9-5-6-21(16-24)19-36(26-10-11-31-27(33-26)35-13-12-30-20-35)15-14-34(18-23(36)17-25(29)37)28(38)32-22-7-3-2-4-8-22/h5-6,9-13,16,20,22-23H,2-4,7-8,14-15,17-19H2,1H3,(H2-,29,32,37,38)/p+1