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

Systemtic Name: ethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium CAS Name: ethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C24H31N3O2S/c1-4-26(18-22-13-9-6-10-14-22)19-23-17-25-24(30(28,29)20(2)3)27(23)16-15-21-11-7-5-8-12-21/h5-14,17,20H,4,15-16,18-19H2,1-3H3/p+1