2-[4-(3-oxidanylidenebutyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-oxidanylidenebutyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-oxobutyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(3-oxobutyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-oxobutyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-ketobutyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H19N3O3S/c1-13(19)6-7-17-8-10-18(11-9-17)22(20,21)15-5-3-2-4-14(15)12-16/h2-5H,6-11H2,1H3/p+1