2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C22H33N3O+2 MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CN=CC=C3

InChI

InChI=1S/C22H31N3O/c1-24-13-9-20(10-14-24)17-25(18-21-4-3-12-23-16-21)15-11-19-5-7-22(26-2)8-6-19/h3-8,12,16,20H,9-11,13-15,17-18H2,1-2H3/p+2