(2S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-2-methyl-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: (2S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-2-methyl-4-(2-methylphenyl)piperazin-1-ium Openeye Name: (2S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-2-methyl-4-(o-tolyl)piperazin-1-ium CAS Name: (2S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-methyl-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: (2S)-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-2-methyl-4-(2-methylphenyl)piperazin-1-ium Traditional Name: (2S)-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-2-methyl-4-(o-tolyl)piperazin-1-ium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=CN=C(N2CCCOC)S(=O)(=O)C)C3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=CN=C(N2CCCOC)S(=O)(=O)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H32N4O3S/c1-17-8-5-6-9-20(17)24-12-11-23(18(2)15-24)16-19-14-22-21(29(4,26)27)25(19)10-7-13-28-3/h5-6,8-9,14,18H,7,10-13,15-16H2,1-4H3/p+1/t18-/m0/s1