3-[3-phenyl-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-phenyl-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-phenyl-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-phenyl-4-[[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-phenyl-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-phenyl-4-[(2-pyrrolidin-1-ium-1-ylethylamino)methyl]pyrazol-1-yl]propionitrile Formula: C19H26N5+ MolecularWeight: 324.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C19H25N5/c20-9-6-13-24-16-18(15-21-10-14-23-11-4-5-12-23)19(22-24)17-7-2-1-3-8-17/h1-3,7-8,16,21H,4-6,10-15H2/p+1