1-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-4-(3,4,5-trimethoxyphenyl)piperazine

Systemtic Name: 1-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-4-(3,4,5-trimethoxyphenyl)piperazine Openeye Name: 1-[3-(1-piperidylsulfonyl)pyridin-1-ium-4-yl]-4-(3,4,5-trimethoxyphenyl)piperazine CAS Name: 1-[3-(1-piperidinylsulfonyl)-4-pyridin-1-iumyl]-4-(3,4,5-trimethoxyphenyl)piperazine IUPAC Name: 1-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-4-(3,4,5-trimethoxyphenyl)piperazine Traditional Name: 1-(3-piperidinosulfonylpyridin-1-ium-4-yl)-4-(3,4,5-trimethoxyphenyl)piperazine Formula: C23H33N4O5S+ MolecularWeight: 477.59692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)C3=C(C=[NH+]C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)C3=C(C=[NH+]C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H32N4O5S/c1-30-20-15-18(16-21(31-2)23(20)32-3)25-11-13-26(14-12-25)19-7-8-24-17-22(19)33(28,29)27-9-5-4-6-10-27/h7-8,15-17H,4-6,9-14H2,1-3H3/p+1