[3-(1-methylpiperidin-1-ium-4-yl)oxyphenyl]methylazanium

Systemtic Name: [3-(1-methylpiperidin-1-ium-4-yl)oxyphenyl]methylazanium Openeye Name: [3-(1-methylpiperidin-1-ium-4-yl)oxyphenyl]methylammonium CAS Name: [3-[(1-methyl-4-piperidin-1-iumyl)oxy]phenyl]methylammonium IUPAC Name: [3-(1-methylpiperidin-1-ium-4-yl)oxyphenyl]methylazanium Traditional Name: [3-(1-methylpiperidin-1-ium-4-yl)oxybenzyl]ammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C13H20N2O/c1-15-7-5-12(6-8-15)16-13-4-2-3-11(9-13)10-14/h2-4,9,12H,5-8,10,14H2,1H3/p+2