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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS/c1-27(18-24-26-22-14-8-9-15-23(22)30-24)19-25(29)28(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15H,16-19H2,1H3/p+1