2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)quinolin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)quinolin-4-yl]-1,3-benzothiazole Openeye Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-quinolyl]-1,3-benzothiazole CAS Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-quinolinyl]-1,3-benzothiazole IUPAC Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)quinolin-4-yl]-1,3-benzothiazole Traditional Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-quinolyl]-1,3-benzothiazole Formula: C22H23N4S+ MolecularWeight: 375.50982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4S/c1-25-11-6-12-26(14-13-25)21-15-17(16-7-2-3-8-18(16)23-21)22-24-19-9-4-5-10-20(19)27-22/h2-5,7-10,15H,6,11-14H2,1H3/p+1