[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-hexyl-azanium

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-hexyl-azanium Openeye Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl-hexyl-ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-hexylammonium IUPAC Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-hexylazanium Traditional Name: [5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl-hexyl-ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H27NO5/c1-4-5-6-7-10-22-14-18-8-9-19(27-18)15-11-16(20(23)25-2)13-17(12-15)21(24)26-3/h8-9,11-13,22H,4-7,10,14H2,1-3H3/p+1