4-(2-hydroxyethyl)-N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2-hydroxyethyl)-N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-hydroxyethyl)-N-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-(2-hydroxyethyl)-N-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-hydroxyethyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-hydroxyethyl)-N-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)NC2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)N[C@H]2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O3/c22-11-10-19-6-8-20(9-7-19)17(24)18-14-12-16(23)21(13-14)15-4-2-1-3-5-15/h1-5,14,22H,6-13H2,(H,18,24)/p+1/t14-/m0/s1