1-adamantyl-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O/c1-16(7-8-17-5-3-2-4-6-17)24-21(25)15-23-22-12-18-9-19(13-22)11-20(10-18)14-22/h2-6,16,18-20,23H,7-15H2,1H3,(H,24,25)/p+1/t16-,18?,19?,20?,22?/m0/s1