(4-azaniumylpiperazin-1-yl)azanium; (E)-3-(4-chlorophenyl)prop-2-enoate

Systemtic Name: (4-azaniumylpiperazin-1-yl)azanium; (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: (4-azaniumylpiperazin-1-yl)ammonium; (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (4-ammonio-1-piperazinyl)ammonium; (E)-3-(4-chlorophenyl)-2-propenoate IUPAC Name: (4-azaniumylpiperazin-1-yl)azanium; (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (4-ammoniopiperazino)ammonium; (E)-3-(4-chlorophenyl)acrylate Formula: C22H26Cl2N4O4 MolecularWeight: 481.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1[NH3+])[NH3+].C1=CC(=CC=C1C=CC(=O)[O-])Cl.C1=CC(=CC=C1C=CC(=O)[O-])Cl

Isomeric SMILES

C1N(CCN(C1)[NH3+])[NH3+].C1=CC(=CC=C1/C=C/C(=O)[O-])Cl.C1=CC(=CC=C1/C=C/C(=O)[O-])Cl

InChI

InChI=1S/2C9H7ClO2.C4H12N4/c2*10-8-4-1-7(2-5-8)3-6-9(11)12;5-7-1-2-8(6)4-3-7/h2*1-6H,(H,11,12);1-6H2/b2*6-3+;