(2S,3S,6R)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one

Systemtic Name: (2S,3S,6R)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one Openeye Name: (2S,3S,6R)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one CAS Name: (2S,3S,6R)-3-ethyl-2,6-bis(4-nitrophenyl)-4-piperidin-1-iumone IUPAC Name: (2S,3S,6R)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one Traditional Name: (2S,3S,6R)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one Formula: C19H20N3O5+ MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C([NH2+]C(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1[C@H]([NH2+][C@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-2-16-18(23)11-17(12-3-7-14(8-4-12)21(24)25)20-19(16)13-5-9-15(10-6-13)22(26)27/h3-10,16-17,19-20H,2,11H2,1H3/p+1/t16-,17-,19-/m1/s1