2-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-methoxy-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 2-methoxy-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-methoxy-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)benzamide Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C28H33N3O2/c1-22-8-3-4-10-25(22)21-30-16-13-23(14-17-30)19-31(20-24-9-7-15-29-18-24)28(32)26-11-5-6-12-27(26)33-2/h3-12,15,18,23H,13-14,16-17,19-21H2,1-2H3/p+1