8-(azepan-1-ium-1-ylmethyl)-3-(3H-1,3-benzothiazol-2-ylidene)chromene-2,7-dione

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3H-1,3-benzothiazol-2-ylidene)chromene-2,7-dione Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3H-1,3-benzothiazol-2-ylidene)chromene-2,7-dione CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(3H-1,3-benzothiazol-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3H-1,3-benzothiazol-2-ylidene)chromene-2,7-dione Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3H-1,3-benzothiazol-2-ylidene)chromene-2,7-quinone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C23H22N2O3S/c26-19-10-9-15-13-16(22-24-18-7-3-4-8-20(18)29-22)23(27)28-21(15)17(19)14-25-11-5-1-2-6-12-25/h3-4,7-10,13,24H,1-2,5-6,11-12,14H2/p+1