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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)but-3-enamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)but-3-enamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-3-butenamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)but-3-enamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)but-3-enamide Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O/c1-3-7-24(28)27(18-22-9-6-13-25-16-22)17-21-11-14-26(15-12-21)19-23-10-5-4-8-20(23)2/h3-6,8-10,13,16,21H,1,7,11-12,14-15,17-19H2,2H3/p+1