N-[4-[(S)-(4-methyl-1,3-thiazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-(4-methyl-1,3-thiazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-(4-methylthiazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(S)-(4-methyl-2-thiazolyl)-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-(4-methyl-1,3-thiazol-2-yl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(S)-(4-methylthiazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC=C(C=C2)NC(=O)C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C2=CC=C(C=C2)NC(=O)C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H22N4OS/c1-12-11-23-17(19-12)16(21-9-7-18-8-10-21)14-3-5-15(6-4-14)20-13(2)22/h3-6,11,16,18H,7-10H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1