N,4-dimethyl-2-(methylamino)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: N,4-dimethyl-2-(methylamino)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: N,4-dimethyl-2-(methylamino)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-5-carboxamide CAS Name: N,4-dimethyl-2-(methylamino)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N,4-dimethyl-2-(methylamino)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Traditional Name: N,4-dimethyl-2-(methylamino)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiazole-5-carboxamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)NC)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-15-18(26-20(21-2)22-15)19(25)23(3)17-10-7-12-24(14-17)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-14H2,1-3H3,(H,21,22)/p+1/t17-/m0/s1