[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-yl-methanone Openeye Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-(2-pyridyl)methanone CAS Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-pyridinyl)methanone IUPAC Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone Traditional Name: [(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]-(2-pyridyl)methanone Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC=N2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CC=N2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N4O3/c28-23(20-5-1-2-8-24-20)27-9-3-4-19(16-27)26-12-10-25(11-13-26)15-18-6-7-21-22(14-18)30-17-29-21/h1-2,5-8,14,19H,3-4,9-13,15-17H2/p+1/t19-/m0/s1