1-[[1,3-benzothiazol-2-ylmethyl(methyl)azaniumyl]methyl]-3-methoxycarbonyl-naphthalen-2-olate

Systemtic Name: 1-[[1,3-benzothiazol-2-ylmethyl(methyl)azaniumyl]methyl]-3-methoxycarbonyl-naphthalen-2-olate Openeye Name: 1-[[1,3-benzothiazol-2-ylmethyl(methyl)ammonio]methyl]-3-methoxycarbonyl-naphthalen-2-olate CAS Name: 1-[[1,3-benzothiazol-2-ylmethyl(methyl)ammonio]methyl]-3-methoxycarbonyl-2-naphthalenolate IUPAC Name: 1-[[1,3-benzothiazol-2-ylmethyl(methyl)azaniumyl]methyl]-3-methoxycarbonylnaphthalen-2-olate Traditional Name: 1-[[1,3-benzothiazol-2-ylmethyl(methyl)ammonio]methyl]-3-carbomethoxy-naphthalen-2-olate Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=CC2=CC=CC=C21)C(=O)OC)[O-])CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CC1=C(C(=CC2=CC=CC=C21)C(=O)OC)[O-])CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O3S/c1-24(13-20-23-18-9-5-6-10-19(18)28-20)12-17-15-8-4-3-7-14(15)11-16(21(17)25)22(26)27-2/h3-11,25H,12-13H2,1-2H3