(7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [7-methoxy-2-(3-thienyl)-3-quinolyl]methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [7-methoxy-2-(3-thiophenyl)-3-quinolinyl]methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[[7-methoxy-2-(3-thienyl)-3-quinolyl]methyl]ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C[NH2+]C3CCCCNC3=O)C4=CSC=C4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C[NH2+][C@H]3CCCCNC3=O)C4=CSC=C4

InChI

InChI=1S/C21H23N3O2S/c1-26-17-6-5-14-10-16(12-23-18-4-2-3-8-22-21(18)25)20(24-19(14)11-17)15-7-9-27-13-15/h5-7,9-11,13,18,23H,2-4,8,12H2,1H3,(H,22,25)/p+1/t18-/m0/s1