2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C20H31N3O3+2 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O3/c1-16-3-2-6-23(12-16)20(24)14-22-9-7-21(8-10-22)13-17-4-5-18-19(11-17)26-15-25-18/h4-5,11,16H,2-3,6-10,12-15H2,1H3/p+2/t16-/m0/s1