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

Systemtic Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-phenyl-methanone Openeye Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-phenyl-methanone CAS Name: [(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-phenylmethanone IUPAC Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-phenylmethanone Traditional Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-phenyl-methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O/c23-20(18-10-4-3-5-11-18)22-16-9-6-12-19(22)13-17-21-14-7-1-2-8-15-21/h3-5,10-11,19H,1-2,6-9,12-17H2/p+1/t19-/m0/s1