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

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cycloheptyl-azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-cycloheptyl-ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cycloheptylammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cycloheptylazanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-cycloheptyl-ammonium Formula: C20H27ClNO2S+ MolecularWeight: 380.95188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Cl)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Cl)OCC3=CC=CS3

InChI

InChI=1S/C20H26ClNO2S/c1-23-19-12-15(13-22-16-7-4-2-3-5-8-16)11-18(21)20(19)24-14-17-9-6-10-25-17/h6,9-12,16,22H,2-5,7-8,13-14H2,1H3/p+1