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

Systemtic Name: ethyl 1-[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C21H29N2O5+ MolecularWeight: 389.46536

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-3-13-28-17-7-5-16(6-8-17)23-19(24)14-18(20(23)25)22-11-9-15(10-12-22)21(26)27-4-2/h5-8,15,18H,3-4,9-14H2,1-2H3/p+1/t18-/m0/s1