3-[(1S)-1-pyrrolidin-1-ium-1-ylpropyl]aniline

Systemtic Name: 3-[(1S)-1-pyrrolidin-1-ium-1-ylpropyl]aniline Openeye Name: 3-[(1S)-1-pyrrolidin-1-ium-1-ylpropyl]aniline CAS Name: 3-[(1S)-1-(1-pyrrolidin-1-iumyl)propyl]aniline IUPAC Name: 3-[(1S)-1-pyrrolidin-1-ium-1-ylpropyl]aniline Traditional Name: [3-[(1S)-1-pyrrolidin-1-ium-1-ylpropyl]phenyl]amine Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)N)[NH+]2CCCC2

Isomeric SMILES

CC[C@@H](C1=CC(=CC=C1)N)[NH+]2CCCC2

InChI

InChI=1S/C13H20N2/c1-2-13(15-8-3-4-9-15)11-6-5-7-12(14)10-11/h5-7,10,13H,2-4,8-9,14H2,1H3/p+1/t13-/m0/s1