1-[6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H28N4O4S/c1-24-9-11-25(12-10-24)31(27,28)18-5-7-22(23-16-18)26-8-2-3-19(26)17-4-6-20-21(15-17)30-14-13-29-20/h4-7,15-16,19H,2-3,8-14H2,1H3/p+1/t19-/m0/s1