[(1S)-2-[(6-chloranyl-2-methyl-quinolin-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(6-chloranyl-2-methyl-quinolin-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(6-chloro-2-methyl-quinoline-3-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(6-chloro-2-methyl-3-quinolinyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(6-chloro-2-methylquinoline-3-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-chloro-2-methyl-quinoline-3-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C19H20ClN3OS/c1-12-16(9-14-8-15(20)4-5-17(14)22-12)19(24)21-10-18(23(2)3)13-6-7-25-11-13/h4-9,11,18H,10H2,1-3H3,(H,21,24)/p+1/t18-/m1/s1