N-[1-methyl-1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-4H-3,1-benzothiazin-2-amine

Systemtic Name: N-[1-methyl-1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-4H-3,1-benzothiazin-2-amine Openeye Name: N-[1-methyl-1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-4H-3,1-benzothiazin-2-amine CAS Name: N-[1-methyl-1-(4-phenoxybutyl)-4-piperidin-1-iumyl]-4H-3,1-benzothiazin-2-amine IUPAC Name: N-[1-methyl-1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-4H-3,1-benzothiazin-2-amine Traditional Name: 4H-3,1-benzothiazin-2-yl-[1-methyl-1-(4-phenoxybutyl)piperidin-1-ium-4-yl]amine Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC2=NC3=CC=CC=C3CS2)CCCCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)NC2=NC3=CC=CC=C3CS2)CCCCOC4=CC=CC=C4

InChI

InChI=1S/C24H32N3OS/c1-27(15-7-8-18-28-22-10-3-2-4-11-22)16-13-21(14-17-27)25-24-26-23-12-6-5-9-20(23)19-29-24/h2-6,9-12,21H,7-8,13-19H2,1H3,(H,25,26)/q+1