azetidin-1-yl-carbamimidoyl-cyano-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]azanium

Systemtic Name: azetidin-1-yl-carbamimidoyl-cyano-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]azanium Openeye Name: azetidin-1-yl-carbamimidoyl-cyano-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]ammonium CAS Name: 1-azetidinyl-carbamimidoyl-cyano-[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]ammonium IUPAC Name: azetidin-1-yl-carbamimidoyl-cyano-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]azanium Traditional Name: amidino-(azetidin-1-yl)-cyano-[4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]ammonium Formula: C26H33N6O2+ MolecularWeight: 461.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)[N+](C#N)(C(=N)N)N3CCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)[N+](C#N)(C(=N)N)N3CCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N6O2/c1-34-23-11-6-5-10-22(23)24(33)30-18-26(20-8-3-2-4-9-20)14-12-21(13-15-26)32(19-27,25(28)29)31-16-7-17-31/h2-6,8-11,21H,7,12-18H2,1H3,(H3-,28,29,30,33)/p+1