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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-3-phenyl-N-(3-pyridylmethyl)propanamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-phenyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-3-phenyl-N-(3-pyridylmethyl)propionamide Formula: C29H36N3O+ MolecularWeight: 442.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O/c1-24-8-5-6-12-28(24)23-31-18-15-26(16-19-31)21-32(22-27-11-7-17-30-20-27)29(33)14-13-25-9-3-2-4-10-25/h2-12,17,20,26H,13-16,18-19,21-23H2,1H3/p+1