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

Systemtic Name: [(2R)-3,4-dimethyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-2-yl]-(3-methylbutyl)azanium Openeye Name: [(2R)-1-benzyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-isopentyl-ammonium CAS Name: [(2R)-3,4-dimethyl-5-oxo-1-(phenylmethyl)-2H-pyrrol-2-yl]-(3-methylbutyl)ammonium IUPAC Name: [(2R)-1-benzyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-(3-methylbutyl)azanium Traditional Name: [(2R)-1-benzyl-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]-isoamyl-ammonium Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1[NH2+]CCC(C)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)N([C@H]1[NH2+]CCC(C)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H26N2O/c1-13(2)10-11-19-17-14(3)15(4)18(21)20(17)12-16-8-6-5-7-9-16/h5-9,13,17,19H,10-12H2,1-4H3/p+1/t17-/m1/s1