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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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