N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(3-pyridylmethyl)acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-16-6-3-4-8-18(16)15-25-11-10-23-21(27)19(25)12-20(26)24(2)14-17-7-5-9-22-13-17/h3-9,13,19H,10-12,14-15H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1