[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(3-propoxyphenyl)methanone

Systemtic Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(3-propoxyphenyl)methanone Openeye Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-(3-propoxyphenyl)methanone CAS Name: [(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-(3-propoxyphenyl)methanone IUPAC Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(3-propoxyphenyl)methanone Traditional Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-(3-propoxyphenyl)methanone Formula: C23H37N2O2+ MolecularWeight: 373.55208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C23H36N2O2/c1-2-18-27-22-12-9-10-20(19-22)23(26)25-16-8-5-11-21(25)13-17-24-14-6-3-4-7-15-24/h9-10,12,19,21H,2-8,11,13-18H2,1H3/p+1/t21-/m0/s1