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

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-2-(2-pyrrol-1-ylthiazol-5-yl)acetamide CAS Name: N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-2-[2-(1-pyrrolyl)-5-thiazolyl]acetamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-2-(2-pyrrol-1-ylthiazol-5-yl)acetamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCNC(=O)CC2=CN=C(S2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCNC(=O)CC2=CN=C(S2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c28-22(16-21-17-25-23(29-21)27-12-4-5-13-27)24-11-8-19-9-14-26(15-10-19)18-20-6-2-1-3-7-20/h1-7,12-13,17,19H,8-11,14-16,18H2,(H,24,28)/p+1