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

Systemtic Name: 4-[(1S)-1-(3-piperidin-1-ium-1-ylpropylamino)ethyl]benzenecarbonitrile Openeye Name: 4-[(1S)-1-(3-piperidin-1-ium-1-ylpropylamino)ethyl]benzonitrile CAS Name: 4-[(1S)-1-[3-(1-piperidin-1-iumyl)propylamino]ethyl]benzonitrile IUPAC Name: 4-[(1S)-1-(3-piperidin-1-ium-1-ylpropylamino)ethyl]benzonitrile Traditional Name: 4-[(1S)-1-(3-piperidin-1-ium-1-ylpropylamino)ethyl]benzonitrile Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NCCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C#N)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C17H25N3/c1-15(17-8-6-16(14-18)7-9-17)19-10-5-13-20-11-3-2-4-12-20/h6-9,15,19H,2-5,10-13H2,1H3/p+1/t15-/m0/s1