(5-methylthiophen-2-yl)methyl-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-phenethyl-azanium

Systemtic Name: (5-methylthiophen-2-yl)methyl-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-phenethyl-azanium Openeye Name: (5-methyl-2-thienyl)methyl-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]-phenethyl-ammonium CAS Name: (5-methyl-2-thiophenyl)methyl-[2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl]-phenethylammonium IUPAC Name: (5-methylthiophen-2-yl)methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-phenethylazanium Traditional Name: [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H28N2O2S/c1-17-9-10-20(26-17)15-23(12-11-18-6-3-2-4-7-18)16-21(24)22-14-19-8-5-13-25-19/h2-4,6-7,9-10,19H,5,8,11-16H2,1H3,(H,22,24)/p+1/t19-/m1/s1