5-methyl-2-[4-oxidanylidene-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-oxidanylidene-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[4-oxo-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butyl]-5-methyl-isoindoline-1,3-quinone Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H30N4O4/c1-17-6-7-18-19(15-17)23(31)27(22(18)30)10-4-5-20(28)26-13-11-24(12-14-26)16-21(29)25-8-2-3-9-25/h6-7,15H,2-5,8-14,16H2,1H3/p+1