2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethyl-quinolin-1-ium

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethyl-quinolin-1-ium Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethyl-quinolin-1-ium CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-4,6,8-trimethylquinolin-1-ium IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4,6,8-trimethylquinolin-1-ium Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-4,6,8-trimethyl-quinolin-1-ium Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=[NH+]2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=[NH+]2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C)C

InChI

InChI=1S/C24H27N3O4S/c1-16-12-18(3)24-20(13-16)17(2)14-23(25-24)26-6-8-27(9-7-26)32(28,29)19-4-5-21-22(15-19)31-11-10-30-21/h4-5,12-15H,6-11H2,1-3H3/p+1