(E)-2-diazonio-1-[[(3S,4R)-3-methyl-1-phenethyl-piperidin-4-yl]-phenyl-amino]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[[(3S,4R)-3-methyl-1-phenethyl-piperidin-4-yl]-phenyl-amino]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-(N-[(3S,4R)-3-methyl-1-phenethyl-4-piperidyl]anilino)-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-(N-[(3S,4R)-3-methyl-1-phenethyl-4-piperidinyl]anilino)-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-(N-[(3S,4R)-3-methyl-1-phenethylpiperidin-4-yl]anilino)-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-3-keto-1-(N-[(3S,4R)-3-methyl-1-phenethyl-4-piperidyl]anilino)but-1-en-1-olate Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N(C2=CC=CC=C2)C(=C(C(=O)C)[N+]#N)[O-])CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[C@H]1N(C2=CC=CC=C2)/C(=C(/C(=O)C)\[N+]#N)/[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2/c1-18-17-27(15-13-20-9-5-3-6-10-20)16-14-22(18)28(21-11-7-4-8-12-21)24(30)23(26-25)19(2)29/h3-12,18,22H,13-17H2,1-2H3/t18-,22+/m0/s1