2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-p-anisylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O3S/c1-25-18-8-6-16(7-9-18)15-21-10-12-22(13-11-21)26(23,24)19-5-3-2-4-17(19)14-20/h2-9H,10-13,15H2,1H3/p+1