[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

Systemtic Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-(4-isopropoxyphenyl)methanone CAS Name: [(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-(4-isopropoxyphenyl)methanone Formula: C23H37N2O2+ MolecularWeight: 373.55208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C23H36N2O2/c1-19(2)27-22-12-10-20(11-13-22)23(26)25-17-8-5-9-21(25)14-18-24-15-6-3-4-7-16-24/h10-13,19,21H,3-9,14-18H2,1-2H3/p+1/t21-/m0/s1