(3R)-3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O4/c1-30-19-8-6-18(7-9-19)26-21(27)16-20(23(26)29)24-14-10-17(11-15-24)22(28)25-12-4-2-3-5-13-25/h6-9,17,20H,2-5,10-16H2,1H3/p+1/t20-/m1/s1