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

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CCCCC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CCCCC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H30N4O/c1-17-18(2)27(15-19-10-6-4-7-11-19)23(21(17)14-24)25-22(28)16-26(3)20-12-8-5-9-13-20/h4,6-7,10-11,20H,5,8-9,12-13,15-16H2,1-3H3,(H,25,28)/p+1