2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethyl-quinolin-1-ium

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethyl-quinolin-1-ium Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethyl-quinolin-1-ium CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-4,8-dimethylquinolin-1-ium IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinolin-1-ium Traditional Name: 4,8-dimethyl-2-(4-p-phenetylsulfonylpiperazino)quinolin-1-ium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C23H27N3O3S/c1-4-29-19-8-10-20(11-9-19)30(27,28)26-14-12-25(13-15-26)22-16-18(3)21-7-5-6-17(2)23(21)24-22/h5-11,16H,4,12-15H2,1-3H3/p+1