butyl-[(4R)-7-oxidanylidene-1-prop-2-enyl-azepan-4-yl]-(phenylmethyl)azanium

Systemtic Name: butyl-[(4R)-7-oxidanylidene-1-prop-2-enyl-azepan-4-yl]-(phenylmethyl)azanium Openeye Name: [(4R)-1-allyl-7-oxo-azepan-4-yl]-benzyl-butyl-ammonium CAS Name: butyl-[(4R)-7-oxo-1-prop-2-enyl-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[(4R)-7-oxo-1-prop-2-enylazepan-4-yl]azanium Traditional Name: [(4R)-1-allyl-7-keto-azepan-4-yl]-benzyl-butyl-ammonium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC=C

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)[C@@H]2CCC(=O)N(CC2)CC=C

InChI

InChI=1S/C20H30N2O/c1-3-5-15-22(17-18-9-7-6-8-10-18)19-11-12-20(23)21(14-4-2)16-13-19/h4,6-10,19H,2-3,5,11-17H2,1H3/p+1/t19-/m1/s1