(7-chloranyl-2-thiophen-3-yl-quinolin-3-yl)methyl-[(1-oxidanylcyclohexyl)methyl]azanium

Systemtic Name: (7-chloranyl-2-thiophen-3-yl-quinolin-3-yl)methyl-[(1-oxidanylcyclohexyl)methyl]azanium Openeye Name: [7-chloro-2-(3-thienyl)-3-quinolyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium CAS Name: [7-chloro-2-(3-thiophenyl)-3-quinolinyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium IUPAC Name: (7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl-[(1-hydroxycyclohexyl)methyl]azanium Traditional Name: [7-chloro-2-(3-thienyl)-3-quinolyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium Formula: C21H24ClN2OS+ MolecularWeight: 387.94606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)Cl)C4=CSC=C4)O

Isomeric SMILES

C1CCC(CC1)(C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)Cl)C4=CSC=C4)O

InChI

InChI=1S/C21H23ClN2OS/c22-18-5-4-15-10-17(12-23-14-21(25)7-2-1-3-8-21)20(24-19(15)11-18)16-6-9-26-13-16/h4-6,9-11,13,23,25H,1-3,7-8,12,14H2/p+1