1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-ylidene)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-ylidene)ethanone Openeye Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-ylidene)ethanone CAS Name: 1-(1-azepanyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-ylidene)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-ylidene)ethanone Traditional Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-ylidene)ethanone Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)N3CCCCCC3)[NH2+]1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=CC(=O)N3CCCCCC3)[NH2+]1)C

InChI

InChI=1S/C19H26N2O/c1-19(2)14-15-9-5-6-10-16(15)17(20-19)13-18(22)21-11-7-3-4-8-12-21/h5-6,9-10,13,20H,3-4,7-8,11-12,14H2,1-2H3/p+1