[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-benzyl-methylazanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-benzyl-methyl-ammonium Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N3O2/c1-15(25(2)14-16-6-4-3-5-7-16)20(26)23-21(27)24-22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,15,17-19H,8-14H2,1-2H3,(H2,23,24,26,27)/p+1/t15-,17?,18?,19?,22?/m1/s1