1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-phenoxy-ethanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2CCCCN2C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC[C@@H]2CCCCN2C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O2/c24-21(18-25-20-11-4-3-5-12-20)23-16-9-6-10-19(23)13-17-22-14-7-1-2-8-15-22/h3-5,11-12,19H,1-2,6-10,13-18H2/p+1/t19-/m0/s1