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

Systemtic Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C17H21N3O4/c1-24-14-5-3-2-4-12(14)20-15(21)10-13(17(20)23)19-8-6-11(7-9-19)16(18)22/h2-5,11,13H,6-10H2,1H3,(H2,18,22)/p+1/t13-/m0/s1