1-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]pyridin-1-ium-3-carboxamide Formula: C22H19N4O2S+ MolecularWeight: 403.47686

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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[N+]4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[N+]4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C22H18N4O2S/c1-14-4-9-18-19(11-14)29-22(25-18)15-5-7-17(8-6-15)24-20(27)13-26-10-2-3-16(12-26)21(23)28/h2-12H,13H2,1H3,(H2-,23,24,25,27,28)/p+1