N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-oxo-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N4O2S/c29-23(22-7-4-16-31-22)26-21(17-19-5-2-1-3-6-19)24(30)28-14-12-27(13-15-28)18-20-8-10-25-11-9-20/h1-11,16,21H,12-15,17-18H2,(H,26,29)/p+1/t21-/m0/s1