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

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C20H25N2O4S+ MolecularWeight: 389.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-26-18-7-3-16(4-8-18)15-21-11-13-22(14-12-21)20(23)17-5-9-19(10-6-17)27(2,24)25/h3-10H,11-15H2,1-2H3/p+1