1-[4-methyl-2-phenylimino-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazol-5-yl]ethanone

Systemtic Name: 1-[4-methyl-2-phenylimino-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[4-methyl-2-phenylimino-3-(2-piperazine-1,4-diium-1-ylethyl)thiazol-5-yl]ethanone CAS Name: 1-[4-methyl-2-phenylimino-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-5-thiazolyl]ethanone IUPAC Name: 1-[4-methyl-2-phenylimino-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[4-methyl-2-phenylimino-3-(2-piperazine-1,4-diium-1-ylethyl)-4-thiazolin-5-yl]ethanone Formula: C18H26N4OS+2 MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC2=CC=CC=C2)N1CC[NH+]3CC[NH2+]CC3)C(=O)C

Isomeric SMILES

CC1=C(SC(=NC2=CC=CC=C2)N1CC[NH+]3CC[NH2+]CC3)C(=O)C

InChI

InChI=1S/C18H24N4OS/c1-14-17(15(2)23)24-18(20-16-6-4-3-5-7-16)22(14)13-12-21-10-8-19-9-11-21/h3-7,19H,8-13H2,1-2H3/p+2