N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C23H27N3O3S/c1-17-4-6-18(7-5-17)22(27)26(11-3-10-25-12-14-29-15-13-25)23-24-20-16-19(28-2)8-9-21(20)30-23/h4-9,16H,3,10-15H2,1-2H3/p+1