(3S)-1-cyclopropyl-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-cyclopropyl-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-cyclopropyl-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-cyclopropyl-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-cyclopropyl-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-cyclopropyl-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C17H21N3O3/c21-14-5-3-12(4-6-14)18-7-9-19(10-8-18)15-11-16(22)20(17(15)23)13-1-2-13/h3-6,13,15,21H,1-2,7-11H2/p+1/t15-/m0/s1