(2S)-2-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(1-azepan-1-iumyl)-2-(4-ethylphenyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-2-(4-ethylphenyl)-1-piperazino-ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H31N3O/c1-2-17-7-9-18(10-8-17)19(22-13-5-3-4-6-14-22)20(24)23-15-11-21-12-16-23/h7-10,19,21H,2-6,11-16H2,1H3/p+1/t19-/m0/s1