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

Systemtic Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-methyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl-methyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl-methylamino]ethyl-diethylammonium IUPAC Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl-methylamino]ethyl-diethylazanium Traditional Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl-methyl-amino]ethyl-diethyl-ammonium Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C)CC1=CC(=C2NC3=CC=CC=C3S2)C=CC1=O

Isomeric SMILES

CC[NH+](CC)CCN(C)CC1=CC(=C2NC3=CC=CC=C3S2)C=CC1=O

InChI

InChI=1S/C21H27N3OS/c1-4-24(5-2)13-12-23(3)15-17-14-16(10-11-19(17)25)21-22-18-8-6-7-9-20(18)26-21/h6-11,14,22H,4-5,12-13,15H2,1-3H3/p+1