3-imidazol-1-ylpropyl-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]ammonium Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH2+]CCCN4C=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH2+]CCCN4C=CN=C4

InChI

InChI=1S/C22H23N5OS/c1-16-3-8-19-20(13-16)29-22(26-19)17-4-6-18(7-5-17)25-21(28)14-23-9-2-11-27-12-10-24-15-27/h3-8,10,12-13,15,23H,2,9,11,14H2,1H3,(H,25,28)/p+1