1,3-benzothiazol-2-ylmethyl-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[3-(2-cyanoanilino)-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[3-(2-cyanoanilino)-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[3-(2-cyanoanilino)-3-oxopropyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[3-(2-cyanoanilino)-3-keto-propyl]-methyl-ammonium Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=CC=C1C#N)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=CC=C1C#N)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N4OS/c1-23(13-19-22-16-8-4-5-9-17(16)25-19)11-10-18(24)21-15-7-3-2-6-14(15)12-20/h2-9H,10-11,13H2,1H3,(H,21,24)/p+1