2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(1S)-1-(3-nitrophenyl)ethyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(1S)-1-(3-nitrophenyl)ethyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(1S)-1-(3-nitrophenyl)ethyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(1S)-1-(3-nitrophenyl)ethyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(1S)-1-(3-nitrophenyl)ethyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(1S)-1-(3-nitrophenyl)ethyl]piperidin-1-ium-4-yl]methanone Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O5/c1-15(17-3-2-4-19(13-17)24(26)27)23-9-7-16(8-10-23)22(25)18-5-6-20-21(14-18)29-12-11-28-20/h2-6,13-16H,7-12H2,1H3/p+1/t15-/m0/s1