4-(4-propylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-propylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-propylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 4-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 4-(4-propylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 4-(4-propylpiperazin-4-ium-1-carbonyl)benzonitrile Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H19N3O/c1-2-7-17-8-10-18(11-9-17)15(19)14-5-3-13(12-16)4-6-14/h3-6H,2,7-11H2,1H3/p+1