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

Systemtic Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylcyclopropane-1-carboxamide Openeye Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropanecarboxamide CAS Name: 1-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-1-cyclopropanecarboxamide IUPAC Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropane-1-carboxamide Traditional Name: 1-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]cyclopropanecarboxamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2(CC2)C(=O)N)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2(CC2)C(=O)N)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H30N4O4/c23-20(27)22(5-6-22)21(28)26-7-1-2-17(14-26)25-10-8-24(9-11-25)13-16-3-4-18-19(12-16)30-15-29-18/h3-4,12,17H,1-2,5-11,13-15H2,(H2,23,27)/p+1/t17-/m0/s1