1-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3,5-dimethylbenzyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H26N2O3S/c1-16-12-17(2)14-18(13-16)15-21-8-10-22(11-9-21)26(23,24)20-6-4-19(25-3)5-7-20/h4-7,12-14H,8-11,15H2,1-3H3/p+1