N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-pyrrol-1-ylthiazol-5-yl)acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[2-(1-pyrrolyl)-5-thiazolyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-pyrrol-1-ylthiazol-5-yl)acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CC2=CN=C(S2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CC2=CN=C(S2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c26-20(14-19-15-22-21(27-19)25-10-4-5-11-25)23-18-8-12-24(13-9-18)16-17-6-2-1-3-7-17/h1-7,10-11,15,18H,8-9,12-14,16H2,(H,23,26)/p+1