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

Systemtic Name: (N'-cyanocarbamimidoyl)-diethyl-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]azanium Openeye Name: (N'-cyanocarbamimidoyl)-diethyl-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]ammonium CAS Name: [amino(cyanoimino)methyl]-diethyl-[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]ammonium IUPAC Name: (N'-cyanocarbamimidoyl)-diethyl-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]azanium Traditional Name: (N'-cyanoamidino)-diethyl-[4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]ammonium Formula: C27H36N5O2+ MolecularWeight: 462.60704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O2/c1-4-32(5-2,26(29)31-20-28)22-15-17-27(18-16-22,21-11-7-6-8-12-21)19-30-25(33)23-13-9-10-14-24(23)34-3/h6-14,22H,4-5,15-19H2,1-3H3,(H2-,29,30,31,33)/p+1