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

Systemtic Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c1-27-18-9-7-16(8-10-18)22-11-13-23(14-12-22)19-15-20(25)24(21(19)26)17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3/p+1/t19-/m0/s1