1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[1-(4-bromobenzyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C23H32BrN3O+2 MolecularWeight: 446.42368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H30BrN3O/c1-28-23-5-3-2-4-22(23)27-16-14-26(15-17-27)21-10-12-25(13-11-21)18-19-6-8-20(24)9-7-19/h2-9,21H,10-18H2,1H3/p+2