1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: N-benzyl-1-[(5-bromo-2-methoxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-amine CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: N-benzyl-1-[(5-bromo-2-methoxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-amine Traditional Name: benzyl-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-phenethyl-amine Formula: C28H34BrN2O+ MolecularWeight: 494.48636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33BrN2O/c1-32-28-13-12-26(29)20-25(28)22-30-17-15-27(16-18-30)31(21-24-10-6-3-7-11-24)19-14-23-8-4-2-5-9-23/h2-13,20,27H,14-19,21-22H2,1H3/p+1