[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(3-nitrophenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(3-nitrophenyl)ethyl]azanium Openeye Name: [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-2-(3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(3-nitrophenyl)ethyl]azanium Traditional Name: [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(3-nitrophenyl)ethyl]ammonium Formula: C14H23N3O2+2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C[NH3+])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O2/c1-11-4-3-7-16(10-11)14(9-15)12-5-2-6-13(8-12)17(18)19/h2,5-6,8,11,14H,3-4,7,9-10,15H2,1H3/p+2/t11-,14-/m0/s1