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

Systemtic Name: (N'-cyanocarbamimidoyl)-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]-dipropyl-azanium Openeye Name: (N'-cyanocarbamimidoyl)-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]-dipropyl-ammonium CAS Name: [amino(cyanoimino)methyl]-[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]-dipropylammonium IUPAC Name: (N'-cyanocarbamimidoyl)-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]-dipropylazanium Traditional Name: (N'-cyanoamidino)-[4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]-dipropyl-ammonium Formula: C29H40N5O2+ MolecularWeight: 490.6602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O2/c1-4-19-34(20-5-2,28(31)33-22-30)24-15-17-29(18-16-24,23-11-7-6-8-12-23)21-32-27(35)25-13-9-10-14-26(25)36-3/h6-14,24H,4-5,15-21H2,1-3H3,(H2-,31,32,33,35)/p+1