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

Systemtic Name: (2S,3S,6S)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one Openeye Name: (2S,3S,6S)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one CAS Name: (2S,3S,6S)-3-methyl-2,6-bis(4-nitrophenyl)-4-piperidin-1-iumone IUPAC Name: (2S,3S,6S)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one Traditional Name: (2S,3S,6S)-3-methyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one Formula: C18H18N3O5+ MolecularWeight: 356.35262

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[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/C18H17N3O5/c1-11-17(22)10-16(12-2-6-14(7-3-12)20(23)24)19-18(11)13-4-8-15(9-5-13)21(25)26/h2-9,11,16,18-19H,10H2,1H3/p+1/t11-,16+,18+/m1/s1