N-(phenylmethyl)-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-(thiazol-4-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-(4-thiazolylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(thiazol-4-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC3=CSC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC3=CSC=N3

InChI

InChI=1S/C17H22N4OS/c22-17(18-10-15-4-2-1-3-5-15)12-21-8-6-20(7-9-21)11-16-13-23-14-19-16/h1-5,13-14H,6-12H2,(H,18,22)/p+1