(3-bromanyl-4,5-dimethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C15H25BrN2O2+2 MolecularWeight: 345.2752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O2/c1-19-14-8-12(7-13(16)15(14)20-2)10-18-9-11-3-5-17-6-4-11/h7-8,11,17-18H,3-6,9-10H2,1-2H3/p+2