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

Systemtic Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(4-oxanylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3CCOCC3

InChI

InChI=1S/C21H31N3O3/c1-16-5-3-4-6-18(16)15-24-10-9-22-21(26)19(24)13-20(25)23(2)14-17-7-11-27-12-8-17/h3-6,17,19H,7-15H2,1-2H3,(H,22,26)/p+1/t19-/m1/s1