1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium

Systemtic Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-(2-phenoxyethyl)piperazin-1-ium CAS Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium IUPAC Name: 1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-(2-phenoxyethyl)piperazin-1-ium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O3S/c1-18(2)16-25-19(15-22-21(25)29(3,26)27)17-24-11-9-23(10-12-24)13-14-28-20-7-5-4-6-8-20/h4-8,15,18H,9-14,16-17H2,1-3H3/p+1