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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C19H26N2O3/c1-2-3-13-24-16-9-7-15(8-10-16)21-18(22)14-17(19(21)23)20-11-5-4-6-12-20/h7-10,17H,2-6,11-14H2,1H3/p+1/t17-/m0/s1