(6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl)methyl-bis(phenylmethyl)azanium

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl)methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-indol-2-yl)methyl]ammonium CAS Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-indolyl)methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methyl]azanium Traditional Name: dibenzyl-[(6-bromo-3-carbethoxy-5-hydroxy-1-methyl-indol-2-yl)methyl]ammonium Formula: C27H28BrN2O3+ MolecularWeight: 508.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H27BrN2O3/c1-3-33-27(32)26-21-14-25(31)22(28)15-23(21)29(2)24(26)18-30(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-15,31H,3,16-18H2,1-2H3/p+1