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

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(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-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methyl]azanium Traditional Name: benzyl-[(6-bromo-3-carbethoxy-5-hydroxy-1-methyl-indol-2-yl)methyl]ammonium Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O3/c1-3-26-20(25)19-14-9-18(24)15(21)10-16(14)23(2)17(19)12-22-11-13-7-5-4-6-8-13/h4-10,22,24H,3,11-12H2,1-2H3/p+1