[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]ammonium Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3OS/c1-27(17-22-26-20-14-8-9-15-21(20)29-22)23(28)16-25-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,24-25H,16-17H2,1H3/p+1