N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H27N5O/c27-21(20-14-18-7-1-2-8-19(18)24-20)22-15-17-6-3-10-25(16-17)11-5-13-26-12-4-9-23-26/h1-2,4,7-9,12,14,17,24H,3,5-6,10-11,13,15-16H2,(H,22,27)/p+1/t17-/m1/s1