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

Systemtic Name: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-methyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)C

Isomeric SMILES

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

InChI

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