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

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(5-quinoxalinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)N=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)N=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O3/c26-22(15-6-7-19-20(11-15)28-14-27-19)17-4-2-10-25(13-17)12-16-3-1-5-18-21(16)24-9-8-23-18/h1,3,5-9,11,17H,2,4,10,12-14H2/p+1/t17-/m0/s1