1-[(3-methoxyphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(4-isobutylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(4-isobutylphenyl)sulfonyl-4-m-anisyl-piperazin-4-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H30N2O3S/c1-18(2)15-19-7-9-22(10-8-19)28(25,26)24-13-11-23(12-14-24)17-20-5-4-6-21(16-20)27-3/h4-10,16,18H,11-15,17H2,1-3H3/p+1