1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-methylsulfonyl-3-piperidyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-methylsulfonyl-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-[(3S)-1-mesyl-3-piperidyl]-4-piperonyl-piperazin-1-ium Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H27N3O4S/c1-26(22,23)21-6-2-3-16(13-21)20-9-7-19(8-10-20)12-15-4-5-17-18(11-15)25-14-24-17/h4-5,11,16H,2-3,6-10,12-14H2,1H3/p+1/t16-/m0/s1