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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NCC2=CC=CC=C2)N1CCC[NH+]3CCOCC3)C(=O)C

Isomeric SMILES

CC1=C(SC(=NCC2=CC=CC=C2)N1CCC[NH+]3CCOCC3)C(=O)C

InChI

InChI=1S/C20H27N3O2S/c1-16-19(17(2)24)26-20(21-15-18-7-4-3-5-8-18)23(16)10-6-9-22-11-13-25-14-12-22/h3-5,7-8H,6,9-15H2,1-2H3/p+1