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

Systemtic Name: (7-chloranyl-2-thiophen-3-yl-quinolin-3-yl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [7-chloro-2-(3-thienyl)-3-quinolyl]methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [7-chloro-2-(3-thiophenyl)-3-quinolinyl]methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [7-chloro-2-(3-thienyl)-3-quinolyl]methyl-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)Cl)C4=CSC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)Cl)C4=CSC=C4

InChI

InChI=1S/C20H20ClN3OS/c21-16-5-4-13-9-15(11-23-17-3-1-2-7-22-20(17)25)19(24-18(13)10-16)14-6-8-26-12-14/h4-6,8-10,12,17,23H,1-3,7,11H2,(H,22,25)/p+1/t17-/m0/s1