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

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-(p-tolyl)ethanone CAS Name: (2S)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-1-piperazino-2-(p-tolyl)ethanone Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H29N3O/c1-16-6-8-17(9-7-16)18(21-12-4-2-3-5-13-21)19(23)22-14-10-20-11-15-22/h6-9,18,20H,2-5,10-15H2,1H3/p+1/t18-/m0/s1