2-[4-[(2S)-1-methylpiperidin-1-ium-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2S)-1-methylpiperidin-1-ium-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(2S)-1-methylpiperidin-1-ium-2-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[[(2S)-1-methyl-2-piperidin-1-iumyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(2S)-1-methylpiperidin-1-ium-2-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[(2S)-1-methylpiperidin-1-ium-2-carbonyl]piperazino]benzonitrile Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H24N4O/c1-20-9-5-4-8-17(20)18(23)22-12-10-21(11-13-22)16-7-3-2-6-15(16)14-19/h2-3,6-7,17H,4-5,8-13H2,1H3/p+1/t17-/m0/s1