N-(3-methylphenyl)-3-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-methylphenyl)-3-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: N-(3-methylphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C22H29N3O/c1-17-5-3-7-20(15-17)24-22(26)10-9-19-11-13-25(14-12-19)16-21-8-4-6-18(2)23-21/h3-8,15,19H,9-14,16H2,1-2H3,(H,24,26)/p+1