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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c28-23(19-5-7-24-8-6-19)27-9-1-2-20(16-27)26-12-10-25(11-13-26)15-18-3-4-21-22(14-18)30-17-29-21/h3-8,14,20H,1-2,9-13,15-17H2/p+1/t20-/m0/s1