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

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzhydryl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N(C)CC1=NC2=CC=CC=C2S1)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC(=O)N(C)CC1=NC2=CC=CC=C2S1)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS/c1-27(17-23-26-21-15-9-10-16-22(21)30-23)24(29)18-28(2)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,25H,17-18H2,1-2H3/p+1