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

Systemtic Name: methyl-[(3S)-oxolan-3-yl]-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: methyl-[(3S)-3-oxolanyl]-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]ammonium IUPAC Name: methyl-[(3S)-oxolan-3-yl]-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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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)C3CCOC3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)[C@H]3CCOC3

InChI

InChI=1S/C20H29N3O3S/c1-16(2)27(24,25)20-21-13-19(14-22(3)18-10-12-26-15-18)23(20)11-9-17-7-5-4-6-8-17/h4-8,13,16,18H,9-12,14-15H2,1-3H3/p+1/t18-/m0/s1