(3R)-4-[(4-methylphenyl)methyl]-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-methylphenyl)methyl]-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-4-(p-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methylphenyl)methyl]-3-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methylphenyl)methyl]-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-4-(4-methylbenzyl)piperazin-4-ium-2-one Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H28N4O3S/c1-17-4-6-18(7-5-17)16-27-9-8-24-22(29)19(27)15-21(28)25-10-12-26(13-11-25)23(30)20-3-2-14-31-20/h2-7,14,19H,8-13,15-16H2,1H3,(H,24,29)/p+1/t19-/m1/s1