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

Systemtic Name: [(2R)-1-butyl-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]ammonium CAS Name: [(2R)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]azanium Traditional Name: benzyl-[(2R)-1-butyl-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]ammonium Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C1=O)C)C)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCCCN1[C@H](C(=C(C1=O)C)C)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O/c1-4-5-11-19-16(13(2)14(3)17(19)20)18-12-15-9-7-6-8-10-15/h6-10,16,18H,4-5,11-12H2,1-3H3/p+1/t16-/m1/s1