N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]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:

CC1=NN(C=C1C[NH+]2CCCC(C2)CNC(=O)C3=CC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H27N5O/c1-15-18(13-25(2)24-15)14-26-9-5-6-16(12-26)11-22-21(27)20-10-17-7-3-4-8-19(17)23-20/h3-4,7-8,10,13,16,23H,5-6,9,11-12,14H2,1-2H3,(H,22,27)/p+1/t16-/m1/s1