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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium Formula: C24H34BrN3O+2 MolecularWeight: 460.45026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32BrN3O/c1-29-24-8-7-22(25)17-21(24)19-27-13-15-28(16-14-27)23-9-11-26(12-10-23)18-20-5-3-2-4-6-20/h2-8,17,23H,9-16,18-19H2,1H3/p+2