dimethyl-[(1S)-2-(quinolin-5-ylcarbonylamino)-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-(quinolin-5-ylcarbonylamino)-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(quinoline-5-carbonylamino)-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo(5-quinolinyl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-(quinoline-5-carbonylamino)-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-(quinoline-5-carbonylamino)-1-(3-thienyl)ethyl]ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C2C=CC=NC2=CC=C1)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C2C=CC=NC2=CC=C1)C3=CSC=C3

InChI

InChI=1S/C18H19N3OS/c1-21(2)17(13-8-10-23-12-13)11-20-18(22)15-5-3-7-16-14(15)6-4-9-19-16/h3-10,12,17H,11H2,1-2H3,(H,20,22)/p+1/t17-/m1/s1