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

Systemtic Name: 2-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]benzenecarbonitrile Openeye Name: 2-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]benzonitrile CAS Name: 2-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]methyl]benzonitrile IUPAC Name: 2-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]benzonitrile Traditional Name: 2-[[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]methyl]benzonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC2=CC=CC=C2C#N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC2=CC=CC=C2C#N

InChI

InChI=1S/C15H21N3/c1-2-18-9-5-8-15(18)12-17-11-14-7-4-3-6-13(14)10-16/h3-4,6-7,15,17H,2,5,8-9,11-12H2,1H3/p+1/t15-/m0/s1