2-(4-nitrophenyl)-3-[(2S)-piperidin-1-ium-2-yl]imino-inden-1-olate

Systemtic Name: 2-(4-nitrophenyl)-3-[(2S)-piperidin-1-ium-2-yl]imino-inden-1-olate Openeye Name: 2-(4-nitrophenyl)-3-[(2S)-piperidin-1-ium-2-yl]imino-inden-1-olate CAS Name: 2-(4-nitrophenyl)-3-[[(2S)-2-piperidin-1-iumyl]imino]-1-indenolate IUPAC Name: 2-(4-nitrophenyl)-3-[(2S)-piperidin-1-ium-2-yl]iminoinden-1-olate Traditional Name: 2-(4-nitrophenyl)-3-[(2S)-piperidin-1-ium-2-yl]imino-inden-1-olate Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(C1)N=C2C3=CC=CC=C3C(=C2C4=CC=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[NH2+][C@H](C1)N=C2C3=CC=CC=C3C(=C2C4=CC=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H19N3O3/c24-20-16-6-2-1-5-15(16)19(22-17-7-3-4-12-21-17)18(20)13-8-10-14(11-9-13)23(25)26/h1-2,5-6,8-11,17,21,24H,3-4,7,12H2/t17-/m0/s1