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

Systemtic Name: 1-adamantylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1-adamantylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1-adamantylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: 1-adamantylmethyl-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O2/c1-22-20(26)24-19(25)18(17-5-3-2-4-6-17)23-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16,18,23H,7-13H2,1H3,(H2,22,24,25,26)/p+1/t14?,15?,16?,18-,21?/m0/s1