[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C27H30BrN2O2+ MolecularWeight: 494.4433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C27H29BrN2O2/c1-3-31-26-15-21(14-24(28)27(26)32-18-20-10-8-19(2)9-11-20)16-29-13-12-22-17-30-25-7-5-4-6-23(22)25/h4-11,14-15,17,29-30H,3,12-13,16,18H2,1-2H3/p+1