1-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]sulfonyl-4-piperonyl-piperazin-4-ium Formula: C24H32N3O6S2+ MolecularWeight: 522.65738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N3O6S2/c1-19-4-2-3-11-27(19)35(30,31)22-8-6-21(7-9-22)34(28,29)26-14-12-25(13-15-26)17-20-5-10-23-24(16-20)33-18-32-23/h5-10,16,19H,2-4,11-15,17-18H2,1H3/p+1/t19-/m0/s1