N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpropanamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propionamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-28-19-8-9-21-20(17-19)24-23(30-21)26(12-11-25-13-15-29-16-14-25)22(27)10-7-18-5-3-2-4-6-18/h2-6,8-9,17H,7,10-16H2,1H3/p+1