1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloropyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-piperonyl-piperazin-4-ium Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C17H18ClN3O4S/c18-17-4-2-14(10-19-17)26(22,23)21-7-5-20(6-8-21)11-13-1-3-15-16(9-13)25-12-24-15/h1-4,9-10H,5-8,11-12H2/p+1