(3S)-1-(4-ethoxyphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-ethoxyphenyl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-2-29-21-10-8-20(9-11-21)26-23(27)17-22(24(26)28)25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19,22H,2,12-17H2,1H3/p+1/t22-/m0/s1