6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

Systemtic Name: 6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide Openeye Name: 6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide CAS Name: 6-methoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-indole-2-carboxamide IUPAC Name: 6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide Traditional Name: 6-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-indole-2-carboxamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O2/c1-27-19-9-8-18-12-21(24-20(18)13-19)22(26)23-14-16-4-6-17(7-5-16)15-25-10-2-3-11-25/h4-9,12-13,24H,2-3,10-11,14-15H2,1H3,(H,23,26)/p+1