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

Systemtic Name: [1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-methyl-ammonium CAS Name: [1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-methylazanium Traditional Name: benzyl-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-methyl-ammonium Formula: C21H29BrN2O+2 MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H27BrN2O/c1-23(15-17-6-4-3-5-7-17)20-10-12-24(13-11-20)16-18-14-19(22)8-9-21(18)25-2/h3-9,14,20H,10-13,15-16H2,1-2H3/p+2