(3S)-1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethoxyphenyl)-3-[4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-p-phenetyl-3-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H32N4O4+2 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C22H30N4O4/c1-2-30-18-7-5-17(6-8-18)26-20(27)15-19(22(26)29)24-11-13-25(14-12-24)21(28)16-23-9-3-4-10-23/h5-8,19H,2-4,9-16H2,1H3/p+2/t19-/m0/s1