1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidine-1,5-diium; phthalate

Systemtic Name: 1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidine-1,5-diium; phthalate Openeye Name: 1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidine-1,5-diium; phthalate CAS Name: 1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidine-1,5-diium; phthalate IUPAC Name: 1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidine-1,5-diium; phthalate Traditional Name: 1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrrolo[1,2-a]pyrimidine-1,5-diium; phthalate Formula: C24H36N4O4+2 MolecularWeight: 444.56704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2CCC[NH+]2CCC1.C[N+]1=C2CCC[NH+]2CCC1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+]1=C2CCC[NH+]2CCC1.C[N+]1=C2CCC[NH+]2CCC1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C8H15N2.C8H6O4/c2*1-9-5-3-7-10-6-2-4-8(9)10;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*2-7H2,1H3;1-4H,(H,9,10)(H,11,12)/q2*+1;