[(2R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2R)-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2R)-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-2-yl]methanol Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CO)CC=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@H](C1)CO)C/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O3/c18-12-14-8-3-4-10-16(14)11-5-7-13-6-1-2-9-15(13)17(19)20/h1-2,5-7,9,14,18H,3-4,8,10-12H2/p+1/b7-5+/t14-/m1/s1