[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-cycloheptyl-azanium

Systemtic Name: [3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-cycloheptyl-azanium Openeye Name: [3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl-cycloheptyl-ammonium CAS Name: [3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl-cycloheptylammonium IUPAC Name: [3-(3H-1,3-benzothiazol-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl-cycloheptylazanium Traditional Name: [3-(3H-1,3-benzothiazol-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl-cycloheptyl-ammonium Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O

InChI

InChI=1S/C21H24N2OS/c24-19-12-11-15(21-23-18-9-5-6-10-20(18)25-21)13-16(19)14-22-17-7-3-1-2-4-8-17/h5-6,9-13,17,22-23H,1-4,7-8,14H2/p+1