3-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(3-bromo-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)Br

InChI

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