1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O2S/c1-16(25(2)15-21-24-19-5-3-4-6-20(19)29-21)22(27)23-17-7-9-18(10-8-17)26-11-13-28-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,23,27)/p+1/t16-/m1/s1