5-bromanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide Openeye Name: 5-bromo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]-1H-indole-2-carboxamide CAS Name: 5-bromo-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide Traditional Name: 5-bromo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]-1H-indole-2-carboxamide Formula: C17H18BrN4OS+ MolecularWeight: 406.32002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C17H17BrN4OS/c18-12-3-4-14-11(7-12)8-15(20-14)16(23)21-17-19-13(10-24-17)9-22-5-1-2-6-22/h3-4,7-8,10,20H,1-2,5-6,9H2,(H,19,21,23)/p+1