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

Systemtic Name: (Z)-2-[[(3S)-3-methyl-1-phenethyl-piperidin-4-yl]-phenyl-amino]-2-oxidanyl-ethenediazonium Openeye Name: (Z)-2-hydroxy-2-(N-[(3S)-3-methyl-1-phenethyl-4-piperidyl]anilino)ethenediazonium CAS Name: (Z)-2-hydroxy-2-(N-[(3S)-3-methyl-1-phenethyl-4-piperidinyl]anilino)ethenediazonium IUPAC Name: (Z)-2-hydroxy-2-(N-[(3S)-3-methyl-1-phenethylpiperidin-4-yl]anilino)ethenediazonium Traditional Name: (Z)-2-hydroxy-2-(N-[(3S)-3-methyl-1-phenethyl-4-piperidyl]anilino)ethenediazonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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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/p+1/b22-16-/t18-,21?/m0/s1