3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione CAS Name: 3-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione Traditional Name: 3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-quinone Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

InChI

InChI=1S/C20H26N4O4/c25-17-5-3-4-16-14(17)12-15(19(27)21-16)20(28)24-10-8-22(9-11-24)13-18(26)23-6-1-2-7-23/h12H,1-11,13H2,(H,21,27)/p+1