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

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-isopropyl-N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]thiazole-4-carboxamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-2-propan-2-yl-4-thiazolecarboxamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-isopropyl-N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]thiazole-4-carboxamide Formula: C23H34N3OS+ MolecularWeight: 400.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)C3=CSC(=N3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)C3=CSC(=N3)C(C)C

InChI

InChI=1S/C23H33N3OS/c1-17(2)22-24-21(16-28-22)23(27)25(4)14-19-9-7-12-26(15-19)13-11-20-10-6-5-8-18(20)3/h5-6,8,10,16-17,19H,7,9,11-15H2,1-4H3/p+1/t19-/m1/s1