1,3-benzodioxol-5-yl-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]methanone Formula: C24H24N3O4+ MolecularWeight: 418.46506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N3O4/c28-23(18-6-9-21-22(13-18)30-16-29-21)19-3-1-12-27(15-19)14-17-4-7-20(8-5-17)31-24-25-10-2-11-26-24/h2,4-11,13,19H,1,3,12,14-16H2/p+1/t19-/m0/s1