[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-25(13-15-4-3-5-19(9-15)28-2)14-20(26)23-21(27)24-22-10-16-6-17(11-22)8-18(7-16)12-22/h3-5,9,16-18H,6-8,10-14H2,1-2H3,(H2,23,24,26,27)/p+1