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

Systemtic Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-butoxyphenyl)-3-(4-methyl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-butoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H28N2O3/c1-3-4-13-25-17-7-5-16(6-8-17)22-19(23)14-18(20(22)24)21-11-9-15(2)10-12-21/h5-8,15,18H,3-4,9-14H2,1-2H3/p+1/t18-/m0/s1