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

Systemtic Name: 4-[(2-methylphenyl)methyl]-2-[[4-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonylphenyl]methylidene]-1,4-benzothiazin-3-one Openeye Name: 4-(o-tolylmethyl)-2-[[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)phenyl]methylene]-1,4-benzothiazin-3-one CAS Name: 4-[(2-methylphenyl)methyl]-2-[[4-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]phenyl]methylidene]-1,4-benzothiazin-3-one IUPAC Name: 4-[(2-methylphenyl)methyl]-2-[[4-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)phenyl]methylidene]-1,4-benzothiazin-3-one Traditional Name: 4-(2-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=C1CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CCC(CC5)[NH+]6CCCCC6)C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CCC(CC5)[NH+]6CCCCC6)C2=O

InChI

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