(3R)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(2-thienylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-(thiophen-2-ylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenylpiperazino)ethyl]-4-(2-thenyl)piperazin-4-ium-2-one Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H26N4O2S/c26-20(24-12-10-23(11-13-24)17-5-2-1-3-6-17)15-19-21(27)22-8-9-25(19)16-18-7-4-14-28-18/h1-7,14,19H,8-13,15-16H2,(H,22,27)/p+1/t19-/m1/s1