ethanenitrile; [4-methoxycarbonyl-1-(3-phenylpropanoyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+)

Systemtic Name: ethanenitrile; [4-methoxycarbonyl-1-(3-phenylpropanoyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+) Openeye Name: acetonitrile; [4-methoxycarbonyl-1-(3-phenylpropanoyl)imidazolidin-3-ium-2-ylidene]oxonium; rhodium(2+) CAS Name: acetonitrile; [4-methoxycarbonyl-1-(1-oxo-3-phenylpropyl)-2-imidazolidin-3-iumylidene]oxonium; rhodium(2+) IUPAC Name: acetonitrile; [4-methoxycarbonyl-1-(3-phenylpropanoyl)imidazolidin-3-ium-2-ylidene]oxidanium; rhodium(2+) Traditional Name: acetonitrile; (4-carbomethoxy-1-hydrocinnamoyl-imidazolidin-3-ium-2-ylidene)oxonium; rhodium(2+) Formula: C30H39N5O8Rh+6 MolecularWeight: 700.56486

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CCC2=CC=CC=C2.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CCC2=CC=CC=C2.[Rh+2]

Isomeric SMILES

CC#N.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CCC2=CC=CC=C2.COC(=O)C1CN(C(=[OH+])[NH2+]1)C(=O)CCC2=CC=CC=C2.[Rh+2]

InChI

InChI=1S/2C14H16N2O4.C2H3N.Rh/c2*1-20-13(18)11-9-16(14(19)15-11)12(17)8-7-10-5-3-2-4-6-10;1-2-3;/h2*2-6,11H,7-9H2,1H3,(H,15,19);1H3;/q;;;+2/p+4