4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbonitrile

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzenecarbonitrile Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzonitrile CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]benzonitrile IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzonitrile Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]benzonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H19N3/c1-2-17-9-3-4-14(17)11-16-13-7-5-12(10-15)6-8-13/h5-8,14,16H,2-4,9,11H2,1H3/p+1/t14-/m0/s1