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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-pyridin-4-yl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-2-(4-pyridyl)-N-(3-pyridylmethyl)acetamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-2-pyridin-4-yl-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-pyridin-4-yl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-2-(4-pyridyl)-N-(3-pyridylmethyl)acetamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CC4=CC=NC=C4

InChI

InChI=1S/C27H32N4O/c1-22-5-2-3-7-26(22)21-30-15-10-24(11-16-30)19-31(20-25-6-4-12-29-18-25)27(32)17-23-8-13-28-14-9-23/h2-9,12-14,18,24H,10-11,15-17,19-21H2,1H3/p+1