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

Systemtic Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzonitrile CAS Name: 4-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]benzonitrile IUPAC Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Traditional Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-2-7-16-8-10-17(11-9-16)20(18,19)14-5-3-13(12-15)4-6-14/h3-6H,2,7-11H2,1H3/p+1