1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-4-18(2)20-8-10-22(11-9-20)28(25,26)24-14-12-23(13-15-24)17-19-6-5-7-21(16-19)27-3/h5-11,16,18H,4,12-15,17H2,1-3H3/p+1/t18-/m0/s1