(3S)-3-[2-oxidanylidene-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-oxidanylidene-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-(4-hydroxy-4-phenyl-1-piperidyl)-2-oxo-ethyl]-4-(2-thienylmethyl)piperazin-4-ium-2-one CAS Name: (3S)-3-[2-(4-hydroxy-4-phenyl-1-piperidinyl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-(4-hydroxy-4-phenyl-piperidino)-2-keto-ethyl]-4-(2-thenyl)piperazin-4-ium-2-one Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CS4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C[C@H]3C(=O)NCC[NH+]3CC4=CC=CS4

InChI

InChI=1S/C22H27N3O3S/c26-20(24-11-8-22(28,9-12-24)17-5-2-1-3-6-17)15-19-21(27)23-10-13-25(19)16-18-7-4-14-29-18/h1-7,14,19,28H,8-13,15-16H2,(H,23,27)/p+1/t19-/m0/s1