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

Systemtic Name: 4-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-pyrrol-1-yl-thiazole-5-carboxamide CAS Name: 4-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(1-pyrrolyl)-5-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-pyrrol-1-yl-thiazole-5-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-16-19(27-21(22-16)25-11-5-6-12-25)20(26)23-18-9-13-24(14-10-18)15-17-7-3-2-4-8-17/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,23,26)/p+1