6-methoxy-2-methyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 6-methoxy-2-methyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinolin-1-ium Openeye Name: 6-methoxy-2-methyl-4-[4-(2-thienylsulfonyl)piperazin-1-yl]quinolin-1-ium CAS Name: 6-methoxy-2-methyl-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 6-methoxy-2-methyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinolin-1-ium Traditional Name: 6-methoxy-2-methyl-4-[4-(2-thienylsulfonyl)piperazino]quinolin-1-ium Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S2/c1-14-12-18(16-13-15(25-2)5-6-17(16)20-14)21-7-9-22(10-8-21)27(23,24)19-4-3-11-26-19/h3-6,11-13H,7-10H2,1-2H3/p+1