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

Systemtic Name: 1-[(3S)-1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(4-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(4-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H27N3O4/c1-2-3-12-27-16-6-4-15(5-7-16)23-18(24)13-17(20(23)26)22-10-8-14(9-11-22)19(21)25/h4-7,14,17H,2-3,8-13H2,1H3,(H2,21,25)/p+1/t17-/m0/s1