[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl]-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl]-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl]-[(1S)-1,2-dimethylpropyl]ammonium Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH2+]C(C)C(C)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH2+][C@@H](C)C(C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H26N4O/c1-13(2)15(4)22-12-19(25)23-20-18(11-21)14(3)16(5)24(20)17-9-7-6-8-10-17/h6-10,13,15,22H,12H2,1-5H3,(H,23,25)/p+1/t15-/m0/s1