bis(2-hydroxyethyl)-[[1-(4-methoxyphenyl)-2-methyl-3-nitro-6-oxidanyl-indol-7-yl]methyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[[1-(4-methoxyphenyl)-2-methyl-3-nitro-6-oxidanyl-indol-7-yl]methyl]azanium Openeye Name: bis(2-hydroxyethyl)-[[6-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-nitro-indol-7-yl]methyl]ammonium CAS Name: bis(2-hydroxyethyl)-[[6-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-nitro-7-indolyl]methyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[[6-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-7-yl]methyl]azanium Traditional Name: bis(2-hydroxyethyl)-[[6-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-nitro-indol-7-yl]methyl]ammonium Formula: C21H26N3O6+ MolecularWeight: 416.44764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)C[NH+](CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)C[NH+](CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-14-20(24(28)29)17-7-8-19(27)18(13-22(9-11-25)10-12-26)21(17)23(14)15-3-5-16(30-2)6-4-15/h3-8,25-27H,9-13H2,1-2H3/p+1