N-(2-methylphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H32N4O2/c1-17-7-3-4-9-19(17)22-20(26)15-23-11-13-24(14-12-23)16-21(27)25-10-6-5-8-18(25)2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1