3-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-17-6-8-18(9-7-17)20(16-26-12-14-28-15-13-26)24-22(27)10-11-23-25-19-4-2-3-5-21(19)29-23/h2-9,20H,10-16H2,1H3,(H,24,27)/p+1/t20-/m0/s1