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

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33N3O2/c1-15-6-4-5-7-20(15)14-26(3)16(2)21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,16-19H,8-14H2,1-3H3,(H2,24,25,27,28)/p+1/t16-,17?,18?,19?,23?/m1/s1