2-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H24N4O2S/c22-20(27)16-8-12-28-21(16)24-19(26)7-11-25-9-5-14(6-10-25)17-13-23-18-4-2-1-3-15(17)18/h1-4,8,12-14,23H,5-7,9-11H2,(H2,22,27)(H,24,26)/p+1