2-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C22H28BrN2O+ MolecularWeight: 416.37452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27BrN2O/c1-26-22-7-6-20(23)14-19(22)15-24-11-9-21(10-12-24)25-13-8-17-4-2-3-5-18(17)16-25/h2-7,14,21H,8-13,15-16H2,1H3/p+1