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

Systemtic Name: 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-isobutyl-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-(2-methylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-isobutyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CCC1=O)CC2=CC3=C(C=C2)N(CCC3)C

Isomeric SMILES

CC(C)CN1CC[NH+](CCC1=O)CC2=CC3=C(C=C2)N(CCC3)C

InChI

InChI=1S/C20H31N3O/c1-16(2)14-23-12-11-22(10-8-20(23)24)15-17-6-7-19-18(13-17)5-4-9-21(19)3/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3/p+1