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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-esyl-4-(4-ethoxy-3-methoxy-benzyl)piperazin-4-ium Formula: C16H27N2O4S+ MolecularWeight: 343.46158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-4-22-15-7-6-14(12-16(15)21-3)13-17-8-10-18(11-9-17)23(19,20)5-2/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1