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

Systemtic Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-methyl-1-piperidin-1-iumyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C

InChI

InChI=1S/C19H26N2O3/c1-3-12-24-16-6-4-15(5-7-16)21-18(22)13-17(19(21)23)20-10-8-14(2)9-11-20/h4-7,14,17H,3,8-13H2,1-2H3/p+1/t17-/m0/s1