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

Systemtic Name: 1-[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O5/c1-2-11-26-15-5-3-14(4-6-15)21-17(22)12-16(18(21)23)20-9-7-13(8-10-20)19(24)25/h3-6,13,16H,2,7-12H2,1H3,(H,24,25)/t16-/m0/s1