1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-(5-bromo-2,4-dimethoxy-benzyl)piperidin-1-ium Formula: C21H27BrNO2+ MolecularWeight: 405.34858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C21H26BrNO2/c1-24-20-14-21(25-2)19(22)13-18(20)15-23-10-8-17(9-11-23)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3/p+1