(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C21H29BrN2O2+2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27BrN2O2/c1-25-20-12-18(14-24-13-16-7-9-23-10-8-16)11-19(22)21(20)26-15-17-5-3-2-4-6-17/h2-6,11-12,16,23-24H,7-10,13-15H2,1H3/p+2