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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzonitrile IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-2-15-7-9-16(10-8-15)19(17,18)13-5-3-12(11-14)4-6-13/h3-6H,2,7-10H2,1H3/p+1