(2S)-2-(4-ethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(4-ethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(4-ethylphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(4-ethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(4-ethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-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+]3CCCCC3C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-3-17-7-9-18(10-8-17)19(23-13-5-4-6-16(23)2)20(24)22-14-11-21-12-15-22/h7-10,16,19,21H,3-6,11-15H2,1-2H3/p+1/t16-,19-/m0/s1