4-(3H-1,3-benzothiazol-2-ylidene)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O

InChI

InChI=1S/C21H24N2OS/c1-2-17-7-5-6-12-23(17)14-16-13-15(10-11-19(16)24)21-22-18-8-3-4-9-20(18)25-21/h3-4,8-11,13,17,22H,2,5-7,12,14H2,1H3/p+1/t17-/m0/s1