2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: 2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: 2-[(2S)-1-(1-ethoxycarbonyl-4-piperidyl)-5-oxo-pyrrolidin-2-yl]ethyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: 2-[(2S)-1-(1-ethoxycarbonyl-4-piperidinyl)-5-oxo-2-pyrrolidinyl]ethyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: 2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidin-2-yl]ethyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: 2-[(2S)-1-(1-carbethoxy-4-piperidyl)-5-keto-pyrrolidin-2-yl]ethyl-(4-carbomethoxybenzyl)ammonium Formula: C23H34N3O5+ MolecularWeight: 432.53316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(CCC2=O)CC[NH2+]CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2[C@@H](CCC2=O)CC[NH2+]CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H33N3O5/c1-3-31-23(29)25-14-11-20(12-15-25)26-19(8-9-21(26)27)10-13-24-16-17-4-6-18(7-5-17)22(28)30-2/h4-7,19-20,24H,3,8-16H2,1-2H3/p+1/t19-/m0/s1