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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2-bromo-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: (2-bromo-4,5-dimethoxyphenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2-bromo-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2-bromo-4,5-dimethoxy-benzyl)ammonium Formula: C21H29BrN2O2+2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C21H27BrN2O2/c1-25-20-12-17(19(22)13-21(20)26-2)14-23-18-8-10-24(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-13,18,23H,8-11,14-15H2,1-2H3/p+2