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

Systemtic Name: [(2S)-1-butyl-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]-(3-methylbutyl)azanium Openeye Name: [(2S)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-isopentyl-ammonium CAS Name: [(2S)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-(3-methylbutyl)ammonium IUPAC Name: [(2S)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-(3-methylbutyl)azanium Traditional Name: [(2S)-1-butyl-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]-isoamyl-ammonium Formula: C15H29N2O+ MolecularWeight: 253.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C1=O)C)C)[NH2+]CCC(C)C

Isomeric SMILES

CCCCN1[C@@H](C(=C(C1=O)C)C)[NH2+]CCC(C)C

InChI

InChI=1S/C15H28N2O/c1-6-7-10-17-14(16-9-8-11(2)3)12(4)13(5)15(17)18/h11,14,16H,6-10H2,1-5H3/p+1/t14-/m0/s1