(3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methyl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-hexoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C

InChI

InChI=1S/C22H32N2O3/c1-3-4-5-6-15-27-19-9-7-18(8-10-19)24-21(25)16-20(22(24)26)23-13-11-17(2)12-14-23/h7-10,17,20H,3-6,11-16H2,1-2H3/p+1/t20-/m0/s1