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

Systemtic Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: 4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]benzamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCC[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O2S/c1-18-6-4-14-28(17-18)15-5-13-26-24(29)20-11-9-19(10-12-20)16-23-25(30)27-21-7-2-3-8-22(21)31-23/h2-3,7-12,16,18H,4-6,13-15,17H2,1H3,(H,26,29)(H,27,30)/p+1