3-[(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H22N4O/c18-13-15-4-3-5-16(12-15)14-19-8-10-21(11-9-19)17(22)20-6-1-2-7-20/h3-5,12H,1-2,6-11,14H2/p+1