(E)-4-cyclohexyl-2-oxidanyl-3-[(phenylmethyl)carbamoyloxy]but-1-ene-1-diazonium

Systemtic Name: (E)-4-cyclohexyl-2-oxidanyl-3-[(phenylmethyl)carbamoyloxy]but-1-ene-1-diazonium Openeye Name: (E)-3-(benzylcarbamoyloxy)-4-cyclohexyl-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-4-cyclohexyl-2-hydroxy-3-[oxo-[(phenylmethyl)amino]methoxy]-1-butene-1-diazonium IUPAC Name: (E)-3-(benzylcarbamoyloxy)-4-cyclohexyl-2-hydroxybut-1-ene-1-diazonium Traditional Name: (E)-3-(benzylcarbamoyloxy)-4-cyclohexyl-2-hydroxy-but-1-ene-1-diazonium Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=C[N+]#N)O)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CC(/C(=C\[N+]#N)/O)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3/c19-21-13-16(22)17(11-14-7-3-1-4-8-14)24-18(23)20-12-15-9-5-2-6-10-15/h2,5-6,9-10,13-14,17H,1,3-4,7-8,11-12H2,(H-,20,22,23)/p+1/b16-13+