4-[(3-methylphenyl)methyl]-2-[[4-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonylphenyl]methylidene]-1,4-benzothiazin-3-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-2-[[4-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonylphenyl]methylidene]-1,4-benzothiazin-3-one Openeye Name: 4-(m-tolylmethyl)-2-[[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)phenyl]methylene]-1,4-benzothiazin-3-one CAS Name: 4-[(3-methylphenyl)methyl]-2-[[4-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]phenyl]methylidene]-1,4-benzothiazin-3-one IUPAC Name: 4-[(3-methylphenyl)methyl]-2-[[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)phenyl]methylidene]-1,4-benzothiazin-3-one Traditional Name: 4-(3-methylbenzyl)-2-[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)benzylidene]-1,4-benzothiazin-3-one Formula: C34H38N3O2S+ MolecularWeight: 552.74942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CCC(CC5)[NH+]6CCCCC6)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CCC(CC5)[NH+]6CCCCC6)C2=O

InChI

InChI=1S/C34H37N3O2S/c1-25-8-7-9-27(22-25)24-37-30-10-3-4-11-31(30)40-32(34(37)39)23-26-12-14-28(15-13-26)33(38)36-20-16-29(17-21-36)35-18-5-2-6-19-35/h3-4,7-15,22-23,29H,2,5-6,16-21,24H2,1H3/p+1