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

Systemtic Name: 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-acetamido-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-acetamido-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-acetamido-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)propionamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O2/c1-20-6-3-4-8-24(20)19-28-14-10-22(11-15-28)17-29(18-23-7-5-12-26-16-23)25(31)9-13-27-21(2)30/h3-8,12,16,22H,9-11,13-15,17-19H2,1-2H3,(H,27,30)/p+1