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

Systemtic Name: 2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(4-fluorophenyl)methyl]azanium Openeye Name: 2-[(2S)-1-(1-ethoxycarbonyl-4-piperidyl)-5-oxo-pyrrolidin-2-yl]ethyl-[(4-fluorophenyl)methyl]ammonium CAS Name: 2-[(2S)-1-(1-ethoxycarbonyl-4-piperidinyl)-5-oxo-2-pyrrolidinyl]ethyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: 2-[(2S)-1-(1-ethoxycarbonylpiperidin-4-yl)-5-oxopyrrolidin-2-yl]ethyl-[(4-fluorophenyl)methyl]azanium Traditional Name: 2-[(2S)-1-(1-carbethoxy-4-piperidyl)-5-keto-pyrrolidin-2-yl]ethyl-(4-fluorobenzyl)ammonium Formula: C21H31FN3O3+ MolecularWeight: 392.487543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O3/c1-2-28-21(27)24-13-10-19(11-14-24)25-18(7-8-20(25)26)9-12-23-15-16-3-5-17(22)6-4-16/h3-6,18-19,23H,2,7-15H2,1H3/p+1/t18-/m0/s1