1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(3-bromo-4-methoxy-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-(3-bromo-4-methoxy-benzyl)piperidin-1-ium Formula: C20H25BrNO+ MolecularWeight: 375.3226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H24BrNO/c1-23-20-8-7-18(14-19(20)21)15-22-11-9-17(10-12-22)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3/p+1