methyl-(3-methylbutyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium

Systemtic Name: methyl-(3-methylbutyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: isopentyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: methyl-(3-methylbutyl)-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-(3-methylbutyl)-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: isoamyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C21H34N3O2S+ MolecularWeight: 392.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](C)CC1=CN=C(N1CCC2=CC=CC=C2)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC[NH+](C)CC1=CN=C(N1CCC2=CC=CC=C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H33N3O2S/c1-17(2)11-13-23(5)16-20-15-22-21(27(25,26)18(3)4)24(20)14-12-19-9-7-6-8-10-19/h6-10,15,17-18H,11-14,16H2,1-5H3/p+1