[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(2-methylphenyl)methanone Openeye Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-(o-tolyl)methanone CAS Name: [(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-(2-methylphenyl)methanone IUPAC Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(2-methylphenyl)methanone Traditional Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-(o-tolyl)methanone Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C21H32N2O/c1-18-10-4-5-12-20(18)21(24)23-16-9-6-11-19(23)13-17-22-14-7-2-3-8-15-22/h4-5,10,12,19H,2-3,6-9,11,13-17H2,1H3/p+1/t19-/m0/s1