(3S)-3-(azepan-1-ium-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(azepan-1-ium-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(azepan-1-ium-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(1-azepan-1-iumyl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(azepan-1-ium-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(azepan-1-ium-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-quinone Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c25-21-16-20(23-14-6-1-2-7-15-23)22(26)24(21)17-10-12-19(13-11-17)27-18-8-4-3-5-9-18/h3-5,8-13,20H,1-2,6-7,14-16H2/p+1/t20-/m0/s1