(3R,5R)-3,5-dimethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium

Systemtic Name: (3R,5R)-3,5-dimethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium Openeye Name: (3R,5R)-3,5-dimethyl-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium CAS Name: (3R,5R)-3,5-dimethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium IUPAC Name: (3R,5R)-3,5-dimethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium Traditional Name: (3R,5R)-3,5-dimethyl-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium Formula: C16H23N2O2+ MolecularWeight: 275.36602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC=CC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H22N2O2/c1-13-10-14(2)12-17(11-13)9-5-7-15-6-3-4-8-16(15)18(19)20/h3-8,13-14H,9-12H2,1-2H3/p+1/b7-5+/t13-,14-/m1/s1