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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-18-7-5-9-20-21(18)24-23(29-20)26(11-10-25-12-14-28-15-13-25)22(27)19-8-4-6-17(2)16-19/h4-9,16H,3,10-15H2,1-2H3/p+1