(2S)-2-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazin-1-ium

Systemtic Name: (2S)-2-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-4-(4-methylphenyl)piperazin-1-ium Openeye Name: (2S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-2-methyl-4-(p-tolyl)piperazin-1-ium CAS Name: (2S)-2-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-4-(4-methylphenyl)piperazin-1-ium IUPAC Name: (2S)-2-methyl-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-(4-methylphenyl)piperazin-1-ium Traditional Name: (2S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-2-methyl-4-(p-tolyl)piperazin-1-ium Formula: C24H39N4O2S+ MolecularWeight: 447.65706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=CN=C(N2CCC(C)C)S(=O)(=O)C(C)C)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=CN=C(N2CCC(C)C)S(=O)(=O)C(C)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H38N4O2S/c1-18(2)11-12-28-23(15-25-24(28)31(29,30)19(3)4)17-26-13-14-27(16-21(26)6)22-9-7-20(5)8-10-22/h7-10,15,18-19,21H,11-14,16-17H2,1-6H3/p+1/t21-/m0/s1