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

Systemtic Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-m-phenetyl-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-2-25-14-5-3-4-13(10-14)21-16(22)11-15(18(21)24)20-8-6-12(7-9-20)17(19)23/h3-5,10,12,15H,2,6-9,11H2,1H3,(H2,19,23)/p+1/t15-/m0/s1