1-[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3R)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H31N3O4/c1-2-3-4-5-14-29-18-8-6-17(7-9-18)25-20(26)15-19(22(25)28)24-12-10-16(11-13-24)21(23)27/h6-9,16,19H,2-5,10-15H2,1H3,(H2,23,27)/p+1/t19-/m1/s1