5,7-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

Systemtic Name: 5,7-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide Openeye Name: 5,7-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide CAS Name: 5,7-dimethoxy-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-indole-2-carboxamide IUPAC Name: 5,7-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide Traditional Name: 5,7-dimethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-indole-2-carboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4)OC

InChI

InChI=1S/C24H29N3O3/c1-29-20-12-19-13-21(26-23(19)22(14-20)30-2)24(28)25-15-17-8-4-5-9-18(17)16-27-10-6-3-7-11-27/h4-5,8-9,12-14,26H,3,6-7,10-11,15-16H2,1-2H3,(H,25,28)/p+1