N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Systemtic Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[3-(2-ethyl-1-piperidin-1-iumyl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CCC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C26H31N3O2S/c1-2-21-8-5-6-16-29(21)17-7-15-27-25(30)20-13-11-19(12-14-20)18-24-26(31)28-22-9-3-4-10-23(22)32-24/h3-4,9-14,18,21H,2,5-8,15-17H2,1H3,(H,27,30)(H,28,31)/p+1