2-oxidanylidene-N-[(1S,2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-piperidin-1-yl-ethanamide

Systemtic Name: 2-oxidanylidene-N-[(1S,2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-piperidin-1-yl-ethanamide Openeye Name: N-[(1S,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2-oxo-2-(1-piperidyl)acetamide CAS Name: 2-oxo-N-[(1S,2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-thiophen-2-ylpropan-2-yl]-2-(1-piperidinyl)acetamide IUPAC Name: N-[(1S,2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide Traditional Name: N-[(1S,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2-keto-2-piperidino-acetamide Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C(=O)N4CCCCC4

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O2S/c1-20(26-24(30)25(31)29-12-6-3-7-13-29)23(22-11-8-18-32-22)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2,4-5,8-11,18,20,23H,3,6-7,12-17,19H2,1H3,(H,26,30)/p+1/t20-,23-/m0/s1