3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-9-ium; 1H-indole-2-carboxylate

Systemtic Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-9-ium; 1H-indole-2-carboxylate Openeye Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-9-ium; 1H-indole-2-carboxylate CAS Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-9-ium; 1H-indole-2-carboxylate IUPAC Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-9-ium; 1H-indole-2-carboxylate Traditional Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-9-ium; 1H-indole-2-carboxylate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C2=NCCCN2C1.C1=CC=C2C(=C1)C=C(N2)C(=O)[O-]

Isomeric SMILES

C1C[NH2+]C2=NCCCN2C1.C1=CC=C2C(=C1)C=C(N2)C(=O)[O-]

InChI

InChI=1S/C9H7NO2.C7H13N3/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-3-8-7-9-4-2-6-10(7)5-1/h1-5,10H,(H,11,12);1-6H2,(H,8,9)