1-[(2-ethoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2-ethoxybenzyl)piperazin-4-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-2-25-20-11-7-6-10-19(20)16-21-12-14-22(15-13-21)26(23,24)17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/p+1