4-[[4-[(1R,2S)-2-methylcyclopropyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1R,2S)-2-methylcyclopropyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(1R,2S)-2-methylcyclopropyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1C[C@H]1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N3O/c1-13-10-16(13)17(21)20-8-6-19(7-9-20)12-15-4-2-14(11-18)3-5-15/h2-5,13,16H,6-10,12H2,1H3/p+1/t13-,16+/m0/s1