1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C1C=CC(=C2)C[NH+]3CCC(=O)N(CC3)CC=C

Isomeric SMILES

CN1CCCC2=C1C=CC(=C2)C[NH+]3CCC(=O)N(CC3)CC=C

InChI

InChI=1S/C19H27N3O/c1-3-9-22-13-12-21(11-8-19(22)23)15-16-6-7-18-17(14-16)5-4-10-20(18)2/h3,6-7,14H,1,4-5,8-13,15H2,2H3/p+1