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

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-ethoxy-2-oxo-ethyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: (2-ethoxy-2-oxoethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: (2-ethoxy-2-oxoethyl)-methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-ethoxy-2-keto-ethyl)-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-5-27-19(24)15-22(4)14-18-13-21-20(28(25,26)16(2)3)23(18)12-11-17-9-7-6-8-10-17/h6-10,13,16H,5,11-12,14-15H2,1-4H3/p+1