[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cyclooctyl-azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cyclooctylammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cyclooctylazanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-cyclooctyl-ammonium Formula: C21H29ClNO2S+ MolecularWeight: 394.97846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC3=CC=CS3

InChI

InChI=1S/C21H28ClNO2S/c1-24-20-13-16(14-23-17-8-5-3-2-4-6-9-17)12-19(22)21(20)25-15-18-10-7-11-26-18/h7,10-13,17,23H,2-6,8-9,14-15H2,1H3/p+1