cycloheptyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: cycloheptyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: cycloheptyl-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: cycloheptyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: cycloheptyl-[3-ethoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C21H30NO2S+ MolecularWeight: 360.5334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC3=CC=CS3

InChI

InChI=1S/C21H29NO2S/c1-2-23-21-14-17(15-22-18-8-5-3-4-6-9-18)11-12-20(21)24-16-19-10-7-13-25-19/h7,10-14,18,22H,2-6,8-9,15-16H2,1H3/p+1