N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide Openeye Name: N-methyl-N-[(3-methyl-4-pyridyl)methyl]-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-16-6-4-5-7-18(16)15-26-11-10-24-22(28)20(26)12-21(27)25(3)14-19-8-9-23-13-17(19)2/h4-9,13,20H,10-12,14-15H2,1-3H3,(H,24,28)/p+1/t20-/m1/s1