4-[(1S)-1-(3-pyrrolidin-1-ium-1-ylpropylamino)ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1S)-1-(3-pyrrolidin-1-ium-1-ylpropylamino)ethyl]benzenecarbonitrile Openeye Name: 4-[(1S)-1-(3-pyrrolidin-1-ium-1-ylpropylamino)ethyl]benzonitrile CAS Name: 4-[(1S)-1-[3-(1-pyrrolidin-1-iumyl)propylamino]ethyl]benzonitrile IUPAC Name: 4-[(1S)-1-(3-pyrrolidin-1-ium-1-ylpropylamino)ethyl]benzonitrile Traditional Name: 4-[(1S)-1-(3-pyrrolidin-1-ium-1-ylpropylamino)ethyl]benzonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NCCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C#N)NCCC[NH+]2CCCC2

InChI

InChI=1S/C16H23N3/c1-14(16-7-5-15(13-17)6-8-16)18-9-4-12-19-10-2-3-11-19/h5-8,14,18H,2-4,9-12H2,1H3/p+1/t14-/m0/s1