1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H29N3O4/c1-15-4-2-3-5-23(15)20(25)13-22-8-6-21(7-9-22)12-16-10-18-19(11-17(16)24)27-14-26-18/h10-11,15,24H,2-9,12-14H2,1H3/p+1/t15-/m0/s1