[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H34N2O3/c1-4-28-20-6-5-16(10-21(20)27-3)14-25(2)15-22(26)24-23-11-17-7-18(12-23)9-19(8-17)13-23/h5-6,10,17-19H,4,7-9,11-15H2,1-3H3,(H,24,26)/p+1