1-(azepan-1-yl)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-3-ium-4-ylidene)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-3-ium-4-ylidene)ethanone Openeye Name: 1-(azepan-1-yl)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-3-ium-4-ylidene)ethanone CAS Name: 1-(1-azepanyl)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-3-ium-4-ylidene)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-3-ium-4-ylidene)ethanone Traditional Name: 1-(azepan-1-yl)-2-(2,2-dimethyl-1,3-dihydrobenz[f]isoquinolin-3-ium-4-ylidene)ethanone Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=CC(=O)N4CCCCCC4)[NH2+]1)C

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=CC(=O)N4CCCCCC4)[NH2+]1)C

InChI

InChI=1S/C23H28N2O/c1-23(2)16-20-18-10-6-5-9-17(18)11-12-19(20)21(24-23)15-22(26)25-13-7-3-4-8-14-25/h5-6,9-12,15,24H,3-4,7-8,13-14,16H2,1-2H3/p+1