3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1,4-diium-1-yl]methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1,4-diium-1-yl]methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1,4-diium-1-yl]methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-phenyl-4-[[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazine-1,4-diiumyl]methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1,4-diium-1-yl]methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1,4-diium-1-yl]methyl]pyrazol-1-yl]propionitrile Formula: C23H35N6+3 MolecularWeight: 395.5642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C23H32N6/c24-9-6-12-29-20-22(23(25-29)21-7-2-1-3-8-21)19-28-17-15-27(16-18-28)14-13-26-10-4-5-11-26/h1-3,7-8,20H,4-6,10-19H2/p+3