cycloheptyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium

Systemtic Name: cycloheptyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Openeye Name: cycloheptyl-[[5-(4-ethoxycarbonylphenyl)-2-furyl]methyl]ammonium CAS Name: cycloheptyl-[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: cycloheptyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-cycloheptyl-ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C3CCCCCC3

InChI

InChI=1S/C21H27NO3/c1-2-24-21(23)17-11-9-16(10-12-17)20-14-13-19(25-20)15-22-18-7-5-3-4-6-8-18/h9-14,18,22H,2-8,15H2,1H3/p+1