4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C23H27N3O2S/c1-17-7-9-19(10-8-17)22(27)26(12-4-11-25-13-15-28-16-14-25)23-24-21-18(2)5-3-6-20(21)29-23/h3,5-10H,4,11-16H2,1-2H3/p+1