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

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-methyl-azanium Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-cyclopropyl-methyl-ammonium CAS Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-cyclopropyl-methylammonium IUPAC Name: [2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-cyclopropyl-methylazanium Traditional Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-cyclopropyl-methyl-ammonium Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)C2CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4O/c1-14-15(2)24(12-16-7-5-4-6-8-16)20(18(14)11-21)22-19(25)13-23(3)17-9-10-17/h4-8,17H,9-10,12-13H2,1-3H3,(H,22,25)/p+1