[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(5-chloranyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(5-chloranyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-[(5-chloro-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C22H31ClN3O3+ MolecularWeight: 420.95284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3/c1-26(12-17-8-18(23)3-4-19(17)29-2)13-20(27)24-21(28)25-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16H,5-7,9-13H2,1-2H3,(H2,24,25,27,28)/p+1