(Z,3R)-3-[(R)-(ethoxycarbonylamino)-phenyl-methyl]-4-methyl-2-oxidanyl-pent-1-ene-1-diazonium

Systemtic Name: (Z,3R)-3-[(R)-(ethoxycarbonylamino)-phenyl-methyl]-4-methyl-2-oxidanyl-pent-1-ene-1-diazonium Openeye Name: (Z,3R)-3-[(R)-(ethoxycarbonylamino)-phenyl-methyl]-2-hydroxy-4-methyl-pent-1-ene-1-diazonium CAS Name: (Z,3R)-3-[(R)-(ethoxycarbonylamino)-phenylmethyl]-2-hydroxy-4-methyl-1-pentene-1-diazonium IUPAC Name: (Z,3R)-3-[(R)-(ethoxycarbonylamino)-phenylmethyl]-2-hydroxy-4-methylpent-1-ene-1-diazonium Traditional Name: (Z,3R)-3-[(R)-(carbethoxyamino)-phenyl-methyl]-2-hydroxy-4-methyl-pent-1-ene-1-diazonium Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C1=CC=CC=C1)C(C(C)C)C(=C[N+]#N)O

Isomeric SMILES

CCOC(=O)N[C@@H](C1=CC=CC=C1)[C@@H](C(C)C)/C(=C/[N+]#N)/O

InChI

InChI=1S/C16H21N3O3/c1-4-22-16(21)19-15(12-8-6-5-7-9-12)14(11(2)3)13(20)10-18-17/h5-11,14-15H,4H2,1-3H3,(H-,19,20,21)/p+1/b13-10-/t14-,15-/m0/s1