3-[[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(5-bromo-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole Formula: C21H26BrN3O+2 MolecularWeight: 416.35464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H24BrN3O/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/h2-7,12-13,23H,8-11,14-15H2,1H3/p+2