cyclohexyl-[(1S)-3-(cyclohexylamino)-1-(2-hydroxyphenyl)-3-oxidanylidene-propyl]azanium

Systemtic Name: cyclohexyl-[(1S)-3-(cyclohexylamino)-1-(2-hydroxyphenyl)-3-oxidanylidene-propyl]azanium Openeye Name: cyclohexyl-[(1S)-3-(cyclohexylamino)-1-(2-hydroxyphenyl)-3-oxo-propyl]ammonium CAS Name: cyclohexyl-[(1S)-3-(cyclohexylamino)-1-(2-hydroxyphenyl)-3-oxopropyl]ammonium IUPAC Name: cyclohexyl-[(1S)-3-(cyclohexylamino)-1-(2-hydroxyphenyl)-3-oxopropyl]azanium Traditional Name: cyclohexyl-[(1S)-3-(cyclohexylamino)-1-(2-hydroxyphenyl)-3-keto-propyl]ammonium Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(CC(=O)NC2CCCCC2)C3=CC=CC=C3O

Isomeric SMILES

C1CCC(CC1)[NH2+][C@@H](CC(=O)NC2CCCCC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H32N2O2/c24-20-14-8-7-13-18(20)19(22-16-9-3-1-4-10-16)15-21(25)23-17-11-5-2-6-12-17/h7-8,13-14,16-17,19,22,24H,1-6,9-12,15H2,(H,23,25)/p+1/t19-/m0/s1