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

Systemtic Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O3S/c1-17-5-3-6-20-21(17)24-23(30-20)26(12-4-11-25-13-15-29-16-14-25)22(27)18-7-9-19(28-2)10-8-18/h3,5-10H,4,11-16H2,1-2H3/p+1