1,3-benzothiazol-2-ylmethyl-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[4-(1,3-dioxoisoindolin-2-yl)butyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[4-(1,3-dioxo-2-isoindolyl)butyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(4-phthalimidobutyl)ammonium Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S/c1-23(14-19-22-17-10-4-5-11-18(17)27-19)12-6-7-13-24-20(25)15-8-2-3-9-16(15)21(24)26/h2-5,8-11H,6-7,12-14H2,1H3/p+1