(N'-cyanocarbamimidoyl)-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]-dimethyl-azanium

Systemtic Name: (N'-cyanocarbamimidoyl)-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]-dimethyl-azanium Openeye Name: (N'-cyanocarbamimidoyl)-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]-dimethyl-ammonium CAS Name: [amino(cyanoimino)methyl]-[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]-dimethylammonium IUPAC Name: (N'-cyanocarbamimidoyl)-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]-dimethylazanium Traditional Name: (N'-cyanoamidino)-dimethyl-[4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]ammonium Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=NC#N)N

Isomeric SMILES

C[N+](C)(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=NC#N)N

InChI

InChI=1S/C25H31N5O2/c1-30(2,24(27)29-18-26)20-13-15-25(16-14-20,19-9-5-4-6-10-19)17-28-23(31)21-11-7-8-12-22(21)32-3/h4-12,20H,13-17H2,1-3H3,(H2-,27,28,29,31)/p+1