[5-(1-adamantyl)-3-methoxycarbonyl-furan-2-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [5-(1-adamantyl)-3-methoxycarbonyl-furan-2-yl]methyl-(phenylmethyl)azanium Openeye Name: [5-(1-adamantyl)-3-methoxycarbonyl-2-furyl]methyl-benzyl-ammonium CAS Name: [5-(1-adamantyl)-3-methoxycarbonyl-2-furanyl]methyl-(phenylmethyl)ammonium IUPAC Name: [5-(1-adamantyl)-3-methoxycarbonylfuran-2-yl]methyl-benzylazanium Traditional Name: [5-(1-adamantyl)-3-carbomethoxy-2-furyl]methyl-benzyl-ammonium Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC(=C1)C23CC4CC(C2)CC(C4)C3)C[NH2+]CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(OC(=C1)C23CC4CC(C2)CC(C4)C3)C[NH2+]CC5=CC=CC=C5

InChI

InChI=1S/C24H29NO3/c1-27-23(26)20-10-22(24-11-17-7-18(12-24)9-19(8-17)13-24)28-21(20)15-25-14-16-5-3-2-4-6-16/h2-6,10,17-19,25H,7-9,11-15H2,1H3/p+1