2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(4-methylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidino]sulfonylbenzonitrile Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H24N4O3S/c1-20-10-12-21(13-11-20)18(23)15-6-8-22(9-7-15)26(24,25)17-5-3-2-4-16(17)14-19/h2-5,15H,6-13H2,1H3/p+1