1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazine Formula: C24H33BrN3O2+ MolecularWeight: 475.44172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H32BrN3O2/c1-29-23-8-7-20(25)17-19(23)18-26-11-9-21(10-12-26)27-13-15-28(16-14-27)22-5-3-4-6-24(22)30-2/h3-8,17,21H,9-16,18H2,1-2H3/p+1