(3R)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(1-azepan-1-iumyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCCCCC3

InChI

InChI=1S/C18H24N2O3/c1-2-23-15-9-7-14(8-10-15)20-17(21)13-16(18(20)22)19-11-5-3-4-6-12-19/h7-10,16H,2-6,11-13H2,1H3/p+1/t16-/m1/s1