(3R)-1-(4-chloranyl-3-methoxy-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-chloranyl-3-methoxy-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-chloro-3-methoxy-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-chloro-3-methoxyphenyl)-3-(1-piperazin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-chloro-3-methoxyphenyl)-3-piperazin-4-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-chloro-3-methoxy-phenyl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-quinone Formula: C15H19ClN3O3+ MolecularWeight: 324.78266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)CC(C2=O)N3CC[NH2+]CC3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C[C@H](C2=O)N3CC[NH2+]CC3)Cl

InChI

InChI=1S/C15H18ClN3O3/c1-22-13-8-10(2-3-11(13)16)19-14(20)9-12(15(19)21)18-6-4-17-5-7-18/h2-3,8,12,17H,4-7,9H2,1H3/p+1/t12-/m1/s1