N,N,4-trimethyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1,3-thiazole-5-carboxamide

Systemtic Name: N,N,4-trimethyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1,3-thiazole-5-carboxamide Openeye Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N,N,4-trimethyl-thiazole-5-carboxamide CAS Name: N,N,4-trimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-5-thiazolecarboxamide IUPAC Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N,N,4-trimethyl-thiazole-5-carboxamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C21H28N4O2S/c1-15-19(20(27)24(2)3)28-21(22-15)23-18(26)14-25-11-9-17(10-12-25)13-16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3,(H,22,23,26)/p+1