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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-besyl-piperazin-1-ium Formula: C25H29N2O4S+ MolecularWeight: 453.57376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-30-25-18-22(12-13-24(25)31-20-21-8-4-2-5-9-21)19-26-14-16-27(17-15-26)32(28,29)23-10-6-3-7-11-23/h2-13,18H,14-17,19-20H2,1H3/p+1