(Z)-[(2S)-1-azanyl-2-[4-(2-methylpropyl)phenyl]propylidene]-phenethyl-azanium

Systemtic Name: (Z)-[(2S)-1-azanyl-2-[4-(2-methylpropyl)phenyl]propylidene]-phenethyl-azanium Openeye Name: (Z)-[(2S)-1-amino-2-(4-isobutylphenyl)propylidene]-phenethyl-ammonium CAS Name: (Z)-[(2S)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]-phenethylammonium IUPAC Name: (Z)-[(2S)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]-phenethylazanium Traditional Name: (Z)-[(2S)-1-amino-2-(4-isobutylphenyl)propylidene]-phenethyl-ammonium Formula: C21H29N2+ MolecularWeight: 309.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=[NH+]CCC2=CC=CC=C2)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)/C(=[NH+]/CCC2=CC=CC=C2)/N

InChI

InChI=1S/C21H28N2/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23)/p+1/t17-/m0/s1