N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]thiazole-4-carboxamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]thiazole-4-carboxamide Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CSC=N4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CSC=N4

InChI

InChI=1S/C24H33N3OS/c1-19-6-2-3-7-21(19)12-15-26-13-10-20(11-14-26)16-27(22-8-4-5-9-22)24(28)23-17-29-18-25-23/h2-3,6-7,17-18,20,22H,4-5,8-16H2,1H3/p+1