N,4-dimethyl-2-[3-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N,4-dimethyl-2-[3-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]-1,3-thiazole-5-carboxamide Openeye Name: N,4-dimethyl-2-[3-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]thiazole-5-carboxamide CAS Name: N,4-dimethyl-2-[3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]phenyl]-5-thiazolecarboxamide IUPAC Name: N,4-dimethyl-2-[3-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]-1,3-thiazole-5-carboxamide Traditional Name: N,4-dimethyl-2-[3-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]thiazole-5-carboxamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCOCC3)C(=O)NC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCOCC3)C(=O)NC

InChI

InChI=1S/C18H22N4O3S/c1-12-16(17(24)19-2)26-18(20-12)13-4-3-5-14(10-13)21-15(23)11-22-6-8-25-9-7-22/h3-5,10H,6-9,11H2,1-2H3,(H,19,24)(H,21,23)/p+1