[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C[NH2+]C1CCCCNC1=O)C#N

Isomeric SMILES

CCOC(=O)/C(=C/[NH2+][C@H]1CCCCNC1=O)/C#N

InChI

InChI=1S/C12H17N3O3/c1-2-18-12(17)9(7-13)8-15-10-5-3-4-6-14-11(10)16/h8,10,15H,2-6H2,1H3,(H,14,16)/p+1/b9-8+/t10-/m0/s1