1,3-benzodioxol-5-yl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]methanone Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=[NH+]C=CN2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=[NH+]C=CN2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O3/c21-17(12-3-4-14-15(8-12)23-11-22-14)13-2-1-7-20(9-13)10-16-18-5-6-19-16/h3-6,8,13H,1-2,7,9-11H2,(H,18,19)/p+1/t13-/m0/s1