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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O/c1-15-4-5-20(16(2)6-15)13-24(3)14-21(25)23-22-10-17-7-18(11-22)9-19(8-17)12-22/h4-6,17-19H,7-14H2,1-3H3,(H,23,25)/p+1