(2-ethoxy-2-oxidanylidene-ethyl)-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-azanium Openeye Name: (2-ethoxy-2-oxo-ethyl)-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-ammonium CAS Name: (2-ethoxy-2-oxoethyl)-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: (2-ethoxy-2-oxoethyl)-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methylazanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-ethoxy-2-keto-ethyl)-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(N1CCCC2=CC=CC=C2)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C[NH+](C)CC1=CN=C(N1CCCC2=CC=CC=C2)S(=O)(=O)CC

InChI

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