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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-propylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-propylsulfonyl-3-piperidyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-propylsulfonyl-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-propylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-piperonyl-4-[(3S)-1-propylsulfonyl-3-piperidyl]piperazin-4-ium Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-2-12-28(24,25)23-7-3-4-18(15-23)22-10-8-21(9-11-22)14-17-5-6-19-20(13-17)27-16-26-19/h5-6,13,18H,2-4,7-12,14-16H2,1H3/p+1/t18-/m0/s1