N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine

Systemtic Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine CAS Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine IUPAC Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine Traditional Name: [(1S)-1-(4-isobutylphenyl)ethyl]-(1-pyrrolin-1-ium-2-yl)amine Formula: C16H25N2+ MolecularWeight: 245.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC2=[NH+]CCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)NC2=[NH+]CCC2

InChI

InChI=1S/C16H24N2/c1-12(2)11-14-6-8-15(9-7-14)13(3)18-16-5-4-10-17-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18)/p+1/t13-/m0/s1