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

Systemtic Name: N-(2-methyl-2-morpholin-4-yl-propyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-methyl-2-morpholino-propyl)-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholino-propyl)acetamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC(C)(C)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)N3CCOCC3

InChI

InChI=1S/C22H34N4O3/c1-17-4-6-18(7-5-17)15-25-9-8-23-21(28)19(25)14-20(27)24-16-22(2,3)26-10-12-29-13-11-26/h4-7,19H,8-16H2,1-3H3,(H,23,28)(H,24,27)/p+1/t19-/m1/s1