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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-ethoxy-3-methoxy-benzyl)-4-tosyl-piperazin-1-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C21H28N2O4S/c1-4-27-20-10-7-18(15-21(20)26-3)16-22-11-13-23(14-12-22)28(24,25)19-8-5-17(2)6-9-19/h5-10,15H,4,11-14,16H2,1-3H3/p+1