1-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2,3-dihydroindol-1-ium

Systemtic Name: 1-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2,3-dihydroindol-1-ium Openeye Name: 1-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-indolin-1-ium CAS Name: 1-butyl-2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-2,3-dihydroindol-1-ium IUPAC Name: 1-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2,3-dihydroindol-1-ium Traditional Name: 1-butyl-2-[4-(2-methoxyphenyl)piperazino]-1-methyl-indolin-1-ium Formula: C24H34N3O+ MolecularWeight: 380.54626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(CC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CCCC[N+]1(C(CC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C24H34N3O/c1-4-5-18-27(2)22-12-8-6-10-20(22)19-24(27)26-16-14-25(15-17-26)21-11-7-9-13-23(21)28-3/h6-13,24H,4-5,14-19H2,1-3H3/q+1