[(2S)-3,4-dimethyl-5-oxidanylidene-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]-(3-methylbutyl)azanium

Systemtic Name: [(2S)-3,4-dimethyl-5-oxidanylidene-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]-(3-methylbutyl)azanium Openeye Name: [(2S)-3,4-dimethyl-1-[(1S)-1-methyl-3-phenyl-propyl]-5-oxo-2H-pyrrol-2-yl]-isopentyl-ammonium CAS Name: [(2S)-3,4-dimethyl-5-oxo-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]-(3-methylbutyl)ammonium IUPAC Name: [(2S)-3,4-dimethyl-5-oxo-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]-(3-methylbutyl)azanium Traditional Name: isoamyl-[(2S)-5-keto-3,4-dimethyl-1-[(1S)-1-methyl-3-phenyl-propyl]-3-pyrrolin-2-yl]ammonium Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1[NH2+]CCC(C)C)C(C)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)N([C@@H]1[NH2+]CCC(C)C)[C@@H](C)CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H32N2O/c1-15(2)13-14-22-20-17(4)18(5)21(24)23(20)16(3)11-12-19-9-7-6-8-10-19/h6-10,15-16,20,22H,11-14H2,1-5H3/p+1/t16-,20-/m0/s1