[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[4-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [4-(mesylmethyl)phenyl]-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-27-20-9-5-17(6-10-20)15-22-11-13-23(14-12-22)21(24)19-7-3-18(4-8-19)16-28(2,25)26/h3-10H,11-16H2,1-2H3/p+1