1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-tosyl-piperazin-1-ium Formula: C26H31N2O4S+ MolecularWeight: 467.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N2O4S/c1-21-8-11-24(12-9-21)33(29,30)28-16-14-27(15-17-28)19-23-10-13-25(26(18-23)31-2)32-20-22-6-4-3-5-7-22/h3-13,18H,14-17,19-20H2,1-2H3/p+1