N-(1H-indol-3-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide

Systemtic Name: N-(1H-indol-3-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide Openeye Name: N-(1H-indol-3-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carboxamide CAS Name: N-(1H-indol-3-yl)-2-(1-pyrrolidin-1-iumylmethyl)-5-thiazolecarboxamide IUPAC Name: N-(1H-indol-3-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide Traditional Name: N-(1H-indol-3-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carboxamide Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC=C(S2)C(=O)NC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=NC=C(S2)C(=O)NC3=CNC4=CC=CC=C43

InChI

InChI=1S/C17H18N4OS/c22-17(20-14-9-18-13-6-2-1-5-12(13)14)15-10-19-16(23-15)11-21-7-3-4-8-21/h1-2,5-6,9-10,18H,3-4,7-8,11H2,(H,20,22)/p+1