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

Systemtic Name: 3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]benzenecarbonitrile Openeye Name: 3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]benzonitrile CAS Name: 3-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]benzonitrile IUPAC Name: 3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]benzonitrile Traditional Name: 3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]benzonitrile Formula: C18H20N3+ MolecularWeight: 278.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NC2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3/c19-12-16-7-4-8-17(11-16)20-18-9-10-21(14-18)13-15-5-2-1-3-6-15/h1-8,11,18,20H,9-10,13-14H2/p+1/t18-/m0/s1