3-[[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-indole; ethanedioic acid

Systemtic Name: 3-[[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-indole; ethanedioic acid Openeye Name: 3-[[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(5-bromo-2-methoxy-benzyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C23H26BrN3O5 MolecularWeight: 504.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24BrN3O.C2H2O4/c1-26-21-7-6-18(22)12-16(21)14-24-8-10-25(11-9-24)15-17-13-23-20-5-3-2-4-19(17)20;3-1(4)2(5)6/h2-7,12-13,23H,8-11,14-15H2,1H3;(H,3,4)(H,5,6)