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

Systemtic Name: 5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide Openeye Name: 5-methyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)thiophene-2-carboxamide CAS Name: 5-methyl-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide Traditional Name: 5-methyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)thiophene-2-carboxamide Formula: C26H32N3OS+ MolecularWeight: 434.61678

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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=C(S4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=C(S4)C

InChI

InChI=1S/C26H31N3OS/c1-20-6-3-4-8-24(20)19-28-14-11-22(12-15-28)17-29(18-23-7-5-13-27-16-23)26(30)25-10-9-21(2)31-25/h3-10,13,16,22H,11-12,14-15,17-19H2,1-2H3/p+1