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

Systemtic Name: 4-methyl-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-phenyl-thiazole-5-carboxamide CAS Name: 4-methyl-2-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-phenyl-thiazole-5-carboxamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-21(28-23(24-17)19-10-6-3-7-11-19)22(27)25-20-12-14-26(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,25,27)/p+1