N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thiophene-2-carboxamide Formula: C25H26N5O2S+ MolecularWeight: 460.57124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H25N5O2S/c31-24(22-8-5-15-33-22)28-21(16-18-17-27-20-7-2-1-6-19(18)20)25(32)30-13-11-29(12-14-30)23-9-3-4-10-26-23/h1-10,15,17,21,27H,11-14,16H2,(H,28,31)/p+1/t21-/m1/s1