2-(1,3-benzodioxol-5-ylmethyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-[(3S)-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-piperidin-1-ium-3-yl]-2-piperonyl-1H-pyrimidin-4-one Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=CC(=O)N=C(N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C2=CC(=O)N=C(N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O3/c21-17-8-13(12-2-1-5-18-9-12)19-16(20-17)7-11-3-4-14-15(6-11)23-10-22-14/h3-4,6,8,12,18H,1-2,5,7,9-10H2,(H,19,20,21)/p+1/t12-/m0/s1