[2-[2-(2-adamantylmethylamino)-2-oxidanylidene-ethoxy]-5-pyrazin-2-yl-phenyl]methyl-(furan-3-ylmethyl)-methyl-azanium

Systemtic Name: [2-[2-(2-adamantylmethylamino)-2-oxidanylidene-ethoxy]-5-pyrazin-2-yl-phenyl]methyl-(furan-3-ylmethyl)-methyl-azanium Openeye Name: [2-[2-(2-adamantylmethylamino)-2-oxo-ethoxy]-5-pyrazin-2-yl-phenyl]methyl-(3-furylmethyl)-methyl-ammonium CAS Name: [2-[2-(2-adamantylmethylamino)-2-oxoethoxy]-5-(2-pyrazinyl)phenyl]methyl-(3-furanylmethyl)-methylammonium IUPAC Name: [2-[2-(2-adamantylmethylamino)-2-oxoethoxy]-5-pyrazin-2-ylphenyl]methyl-(furan-3-ylmethyl)-methylazanium Traditional Name: [2-[2-(2-adamantylmethylamino)-2-keto-ethoxy]-5-pyrazin-2-yl-benzyl]-(3-furfuryl)-methyl-ammonium Formula: C30H37N4O3+ MolecularWeight: 501.63978

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=COC=C1)CC2=C(C=CC(=C2)C3=NC=CN=C3)OCC(=O)NCC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[NH+](CC1=COC=C1)CC2=C(C=CC(=C2)C3=NC=CN=C3)OCC(=O)NCC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C30H36N4O3/c1-34(16-20-4-7-36-18-20)17-26-13-23(28-15-31-5-6-32-28)2-3-29(26)37-19-30(35)33-14-27-24-9-21-8-22(11-24)12-25(27)10-21/h2-7,13,15,18,21-22,24-25,27H,8-12,14,16-17,19H2,1H3,(H,33,35)/p+1