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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C24H33N3O3/c1-30-21-6-2-16(3-7-21)14-27(20-4-5-20)15-22(28)25-23(29)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h2-3,6-7,17-20H,4-5,8-15H2,1H3,(H2,25,26,28,29)/p+1