3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]propanenitrile

Systemtic Name: 3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]propanenitrile Openeye Name: 3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]propanenitrile CAS Name: 3-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]propanenitrile IUPAC Name: 3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]propanenitrile Traditional Name: 3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]propionitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NCCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](C[C@H]1NCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3/c15-8-4-9-16-14-7-10-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7,9-12H2/p+1/t14-/m0/s1