[(4R)-1-[(2-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-bis(prop-2-enyl)azanium

Systemtic Name: [(4R)-1-[(2-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(4R)-1-(o-tolylmethyl)-7-oxo-azepan-4-yl]ammonium CAS Name: [(4R)-1-[(2-methylphenyl)methyl]-7-oxo-4-azepanyl]-bis(prop-2-enyl)ammonium IUPAC Name: [(4R)-1-[(2-methylphenyl)methyl]-7-oxoazepan-4-yl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(4R)-7-keto-1-(2-methylbenzyl)azepan-4-yl]ammonium Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CCC2=O)[NH+](CC=C)CC=C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[C@@H](CCC2=O)[NH+](CC=C)CC=C

InChI

InChI=1S/C20H28N2O/c1-4-13-21(14-5-2)19-10-11-20(23)22(15-12-19)16-18-9-7-6-8-17(18)3/h4-9,19H,1-2,10-16H2,3H3/p+1/t19-/m1/s1