[5-bromanyl-2-(pyridin-2-ylmethoxy)phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [5-bromanyl-2-(pyridin-2-ylmethoxy)phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [5-bromo-2-(2-pyridylmethoxy)phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [5-bromo-2-(2-pyridinylmethoxy)phenyl]methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [5-bromo-2-(2-pyridylmethoxy)benzyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C19H26BrN3O+2 MolecularWeight: 392.33324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=N3

InChI

InChI=1S/C19H24BrN3O/c1-23-10-7-17(8-11-23)22-13-15-12-16(20)5-6-19(15)24-14-18-4-2-3-9-21-18/h2-6,9,12,17,22H,7-8,10-11,13-14H2,1H3/p+2