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

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-5-methoxy-1-phenyl-indol-2-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-phenyl-indol-2-yl)methyl]ammonium CAS Name: (6-bromo-3-ethoxycarbonyl-5-methoxy-1-phenyl-2-indolyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-phenylindol-2-yl)methyl]azanium Traditional Name: benzyl-[(6-bromo-3-carbethoxy-5-methoxy-1-phenyl-indol-2-yl)methyl]ammonium Formula: C26H26BrN2O3+ MolecularWeight: 494.40024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C26H25BrN2O3/c1-3-32-26(30)25-20-14-24(31-2)21(27)15-22(20)29(19-12-8-5-9-13-19)23(25)17-28-16-18-10-6-4-7-11-18/h4-15,28H,3,16-17H2,1-2H3/p+1