4-[[4-[(3S)-5-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3S)-5-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3S)-5-oxo-1-(2-pyridylmethyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[(3S)-5-oxo-1-(2-pyridinylmethyl)-3-pyrrolidinyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3S)-5-keto-1-(2-pyridylmethyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3CC(=O)N(C3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H25N5O2/c24-14-18-4-6-19(7-5-18)15-26-9-11-27(12-10-26)23(30)20-13-22(29)28(16-20)17-21-3-1-2-8-25-21/h1-8,20H,9-13,15-17H2/p+1/t20-/m0/s1