[(1S)-2-butyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-(3-methylbutyl)azanium

Systemtic Name: [(1S)-2-butyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-(3-methylbutyl)azanium Openeye Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-isopentyl-ammonium CAS Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-(3-methylbutyl)ammonium IUPAC Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-(3-methylbutyl)azanium Traditional Name: [(1S)-2-butyl-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-isoamyl-ammonium Formula: C17H31N2O+ MolecularWeight: 279.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=C(C1=O)CCCC2)[NH2+]CCC(C)C

Isomeric SMILES

CCCCN1[C@@H](C2=C(C1=O)CCCC2)[NH2+]CCC(C)C

InChI

InChI=1S/C17H30N2O/c1-4-5-12-19-16(18-11-10-13(2)3)14-8-6-7-9-15(14)17(19)20/h13,16,18H,4-12H2,1-3H3/p+1/t16-/m0/s1