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

Systemtic Name: cyclohexyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: cyclohexyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: cyclohexyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: cyclohexyl-methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: cyclohexyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C3CCCCC3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-18(2)28(26,27)22-23-16-21(17-24(3)20-12-8-5-9-13-20)25(22)15-14-19-10-6-4-7-11-19/h4,6-7,10-11,16,18,20H,5,8-9,12-15,17H2,1-3H3/p+1