3-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazine-2-carbonitrile

Systemtic Name: 3-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazine-2-carbonitrile Openeye Name: 3-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazine-2-carbonitrile CAS Name: 3-[3-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]phenyl]-2-pyrazinecarbonitrile IUPAC Name: 3-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazine-2-carbonitrile Traditional Name: 3-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazinonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C2=NC=CN=C2C#N)[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC(=C1)C2=NC=CN=C2C#N)[NH+]3CCCC3

InChI

InChI=1S/C17H18N4/c1-13(21-9-2-3-10-21)14-5-4-6-15(11-14)17-16(12-18)19-7-8-20-17/h4-8,11,13H,2-3,9-10H2,1H3/p+1/t13-/m0/s1