2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]quinolin-1-ium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C21H23N3O4S/c1-27-19-9-8-17(15-20(19)28-2)29(25,26)24-13-11-23(12-14-24)21-10-7-16-5-3-4-6-18(16)22-21/h3-10,15H,11-14H2,1-2H3/p+1