(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N,N-dimethyl-piperidine-1-sulfonamide CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N,N-dimethyl-1-piperidinesulfonamide IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N,N-dimethylpiperidine-1-sulfonamide Traditional Name: (3S)-N,N-dimethyl-3-(4-piperonylpiperazin-1-ium-1-yl)piperidine-1-sulfonamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-20(2)28(24,25)23-7-3-4-17(14-23)22-10-8-21(9-11-22)13-16-5-6-18-19(12-16)27-15-26-18/h5-6,12,17H,3-4,7-11,13-15H2,1-2H3/p+1/t17-/m0/s1