6-[4-(6-bromanyl-1,2-benzothiazol-3-yl)phenoxy]hexyl-methyl-prop-2-enyl-azanium

Systemtic Name: 6-[4-(6-bromanyl-1,2-benzothiazol-3-yl)phenoxy]hexyl-methyl-prop-2-enyl-azanium Openeye Name: allyl-[6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]hexyl]-methyl-ammonium CAS Name: 6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]hexyl-methyl-prop-2-enylammonium IUPAC Name: 6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]hexyl-methyl-prop-2-enylazanium Traditional Name: allyl-[6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]hexyl]-methyl-ammonium Formula: C23H28BrN2OS+ MolecularWeight: 460.45022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCCCOC1=CC=C(C=C1)C2=NSC3=C2C=CC(=C3)Br)CC=C

Isomeric SMILES

C[NH+](CCCCCCOC1=CC=C(C=C1)C2=NSC3=C2C=CC(=C3)Br)CC=C

InChI

InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1