1-[4-methyl-2-(2-methylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone

Systemtic Name: 1-[4-methyl-2-(2-methylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-(o-tolylimino)thiazol-5-yl]ethanone CAS Name: 1-[4-methyl-2-(2-methylphenyl)imino-3-[3-(4-morpholin-4-iumyl)propyl]-5-thiazolyl]ethanone IUPAC Name: 1-[4-methyl-2-(2-methylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-(o-tolylimino)-4-thiazolin-5-yl]ethanone Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H27N3O2S/c1-15-7-4-5-8-18(15)21-20-23(16(2)19(26-20)17(3)24)10-6-9-22-11-13-25-14-12-22/h4-5,7-8H,6,9-14H2,1-3H3/p+1