(5-bromanyl-2-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O/c1-18-14-3-2-13(15)8-12(14)10-17-9-11-4-6-16-7-5-11/h2-3,8,11,16-17H,4-7,9-10H2,1H3/p+2