2-(azepan-1-ium-1-ylmethyl)-4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-(1-azepan-1-iumylmethyl)-4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O

InChI

InChI=1S/C20H22N2OS/c23-18-10-9-15(20-21-17-7-3-4-8-19(17)24-20)13-16(18)14-22-11-5-1-2-6-12-22/h3-4,7-10,13,21H,1-2,5-6,11-12,14H2/p+1