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

Systemtic Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(4-bromophenyl)methanone Openeye Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-(4-bromophenyl)methanone CAS Name: [(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-(4-bromophenyl)methanone IUPAC Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-(4-bromophenyl)methanone Traditional Name: [(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-(4-bromophenyl)methanone Formula: C20H30BrN2O+ MolecularWeight: 394.369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29BrN2O/c21-18-10-8-17(9-11-18)20(24)23-15-6-3-7-19(23)12-16-22-13-4-1-2-5-14-22/h8-11,19H,1-7,12-16H2/p+1/t19-/m0/s1