[4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylazaniumyl]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylazaniumyl]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylammonio]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylammonio]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylazaniumyl]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylammonio]methyl]benzyl]-dimethyl-ammonium Formula: C22H25N3OS+2 MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C[NH2+]CC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C[NH2+]CC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3OS/c1-25(2)15-17-9-7-16(8-10-17)13-23-14-18-11-12-20(26-18)22-24-19-5-3-4-6-21(19)27-22/h3-12,23H,13-15H2,1-2H3/p+2