N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCO2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-11(2)16(19-17-13(20(21)22)4-3-7-18-17)12-5-6-14-15(10-12)24-9-8-23-14/h3-7,10-11,16H,8-9H2,1-2H3,(H,18,19)/p+1/t16-/m1/s1