N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-5-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-5-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-5-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-isoxazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-5-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-5-carboxamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=NO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=NO4

InChI

InChI=1S/C19H22N4O3S/c1-14-3-4-15-17(13-14)27-19(21-15)23(18(24)16-5-6-20-26-16)8-2-7-22-9-11-25-12-10-22/h3-6,13H,2,7-12H2,1H3/p+1