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

Systemtic Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-29-20-9-7-19(8-10-20)24-13-15-25(16-14-24)21-17-22(27)26(23(21)28)12-11-18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3/p+1/t21-/m0/s1