N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-thiazole-4-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-2-methyl-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-2-methyl-thiazole-4-carboxamide Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=CS1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-12-19-16(11-23-12)17(22)20-15-3-2-8-21(10-15)9-13-4-6-14(18)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,22)/p+1/t15-/m0/s1