dimethyl-[(1S)-2-[[4-(pyridin-3-ylmethoxy)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[4-(pyridin-3-ylmethoxy)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[4-(3-pyridylmethoxy)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[4-(3-pyridinylmethoxy)phenyl]methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[4-(3-pyridylmethoxy)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)OCC2=CN=CC=C2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)OCC2=CN=CC=C2)C3=CSC=C3

InChI

InChI=1S/C21H23N3O2S/c1-24(2)20(18-9-11-27-15-18)13-23-21(25)17-5-7-19(8-6-17)26-14-16-4-3-10-22-12-16/h3-12,15,20H,13-14H2,1-2H3,(H,23,25)/p+1/t20-/m1/s1