[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O2/c1-23(13-15-3-5-19(25-2)6-4-15)14-20(24)22-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,16-18H,7-14H2,1-2H3,(H,22,24)/p+1