N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CCC[NH+]2CCOCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CCC[NH+]2CCOCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-16-14-21-20(28-16)22-18(25)15-24(19(26)17-6-3-2-4-7-17)9-5-8-23-10-12-27-13-11-23/h2-4,6-7,14H,5,8-13,15H2,1H3,(H,21,22,25)/p+1