(3R)-1-(4-ethoxyphenyl)-3-(4-piperidin-1-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-3-(4-piperidin-1-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(1-piperidyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethoxyphenyl)-3-[4-(1-piperidinyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethoxyphenyl)-3-(4-piperidin-1-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-piperidinopiperidin-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C22H31N3O3/c1-2-28-19-8-6-18(7-9-19)25-21(26)16-20(22(25)27)24-14-10-17(11-15-24)23-12-4-3-5-13-23/h6-9,17,20H,2-5,10-16H2,1H3/p+1/t20-/m1/s1