2-(1-adamantyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2-(1-adamantyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2-(1-adamantyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2-(1-adamantyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2-(1-adamantyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: 2-(1-adamantyl)ethyl-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH2+]CCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O2/c1-23-21(27)25-20(26)19(18-5-3-2-4-6-18)24-8-7-22-12-15-9-16(13-22)11-17(10-15)14-22/h2-6,15-17,19,24H,7-14H2,1H3,(H2,23,25,26,27)/p+1/t15?,16?,17?,19-,22?/m0/s1