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

Systemtic Name: [(1S)-2-butyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]ammonium CAS Name: [(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S)-2-butyl-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl]azanium Traditional Name: benzyl-[(1S)-2-butyl-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl]ammonium Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=C(C1=O)CCCC2)[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCCCN1[C@@H](C2=C(C1=O)CCCC2)[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C19H26N2O/c1-2-3-13-21-18(20-14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)19(21)22/h4-6,9-10,18,20H,2-3,7-8,11-14H2,1H3/p+1/t18-/m0/s1