(Z)-2-diazonio-1-[[(3S)-3-methyl-1-phenethyl-piperidin-4-yl]-phenyl-amino]ethenolate

Systemtic Name: (Z)-2-diazonio-1-[[(3S)-3-methyl-1-phenethyl-piperidin-4-yl]-phenyl-amino]ethenolate Openeye Name: (Z)-2-diazonio-1-(N-[(3S)-3-methyl-1-phenethyl-4-piperidyl]anilino)ethenolate CAS Name: (Z)-2-diazonio-1-(N-[(3S)-3-methyl-1-phenethyl-4-piperidinyl]anilino)ethenolate IUPAC Name: (Z)-2-diazonio-1-(N-[(3S)-3-methyl-1-phenethylpiperidin-4-yl]anilino)ethenolate Traditional Name: (Z)-2-diazonio-1-(N-[(3S)-3-methyl-1-phenethyl-4-piperidyl]anilino)ethenolate Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CN(CCC1N(C2=CC=CC=C2)/C(=C/[N+]#N)/[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-18-17-25(14-12-19-8-4-2-5-9-19)15-13-21(18)26(22(27)16-24-23)20-10-6-3-7-11-20/h2-11,16,18,21H,12-15,17H2,1H3/b22-16-/t18-,21?/m0/s1