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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)furan-2-carboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-2-furancarboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)-2-furamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H29N3O2/c1-20-6-2-3-8-23(20)19-27-13-10-21(11-14-27)17-28(18-22-7-4-12-26-16-22)25(29)24-9-5-15-30-24/h2-9,12,15-16,21H,10-11,13-14,17-19H2,1H3/p+1