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

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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