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

Systemtic Name: N-(3-methoxypropyl)-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-14-6-3-4-7-15(14)13-21-10-9-20-18(23)16(21)12-17(22)19-8-5-11-24-2/h3-4,6-7,16H,5,8-13H2,1-2H3,(H,19,22)(H,20,23)/p+1/t16-/m1/s1