[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CCOC2=CC=CC=C2)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CCOC2=CC=CC=C2)C3CCCCC3)C

InChI

InChI=1S/C24H32N4O2/c1-18-19(2)28(20-10-6-4-7-11-20)24(22(18)16-25)26-23(29)17-27(3)14-15-30-21-12-8-5-9-13-21/h5,8-9,12-13,20H,4,6-7,10-11,14-15,17H2,1-3H3,(H,26,29)/p+1