N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C19H28N4O3/c1-3-21-9-11-22(12-10-21)19(25)20-15-13-18(24)23(14-15)16-5-7-17(8-6-16)26-4-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,25)/p+1/t15-/m0/s1