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

Systemtic Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-4-21-7-9-22(10-8-21)19(25)20-16-12-18(24)23(13-16)17-6-5-14(2)15(3)11-17/h5-6,11,16H,4,7-10,12-13H2,1-3H3,(H,20,25)/p+1/t16-/m0/s1