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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[2-(4-chloranylphenoxy)ethyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C21H30ClN2O2+ MolecularWeight: 377.9281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O2/c1-24(6-7-26-19-4-2-18(22)3-5-19)14-20(25)23-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,15-17H,6-14H2,1H3,(H,23,25)/p+1