(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone Openeye Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(p-tolyl)ethanone CAS Name: (2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-(4-methylphenyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-ylethanone Traditional Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazino-2-(p-tolyl)ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C2=CC=C(C=C2)C)C(=O)N3CCNCC3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1[C@H](C2=CC=C(C=C2)C)C(=O)N3CCNCC3

InChI

InChI=1S/C20H31N3O/c1-3-18-6-4-5-13-23(18)19(17-9-7-16(2)8-10-17)20(24)22-14-11-21-12-15-22/h7-10,18-19,21H,3-6,11-15H2,1-2H3/p+1/t18-,19+/m0/s1