5-methoxy-3-[[1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole

Systemtic Name: 5-methoxy-3-[[1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole Openeye Name: 5-methoxy-3-[[1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole CAS Name: 5-methoxy-3-[[1-[2-(4-nitrophenyl)ethyl]-3-pyridin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-methoxy-3-[[1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole Traditional Name: 5-methoxy-3-[[1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium-3-yl]methyl]-1H-indole Formula: C23H22N3O3+ MolecularWeight: 388.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC3=C[N+](=CC=C3)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC3=C[N+](=CC=C3)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N3O3/c1-29-21-8-9-23-22(14-21)19(15-24-23)13-18-3-2-11-25(16-18)12-10-17-4-6-20(7-5-17)26(27)28/h2-9,11,14-16,24H,10,12-13H2,1H3/q+1