2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-benzenecarbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-benzenecarbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-benzonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)benzonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylbenzonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-benzonitrile Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C#N

InChI

InChI=1S/C16H22N4O3S/c1-18-4-6-19(7-5-18)16-3-2-15(12-14(16)13-17)24(21,22)20-8-10-23-11-9-20/h2-3,12H,4-11H2,1H3/p+1