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

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(3-pyridinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]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)NCCCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-17-6-2-3-9-19(17)16-26-13-12-25-22(28)20(26)14-21(27)24-11-5-8-18-7-4-10-23-15-18/h2-4,6-7,9-10,15,20H,5,8,11-14,16H2,1H3,(H,24,27)(H,25,28)/p+1/t20-/m1/s1