2-methyl-3-(piperidin-1-ium-1-ylmethyl)aniline

Systemtic Name: 2-methyl-3-(piperidin-1-ium-1-ylmethyl)aniline Openeye Name: 2-methyl-3-(piperidin-1-ium-1-ylmethyl)aniline CAS Name: 2-methyl-3-(1-piperidin-1-iumylmethyl)aniline IUPAC Name: 2-methyl-3-(piperidin-1-ium-1-ylmethyl)aniline Traditional Name: [2-methyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]amine Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=CC=C1N)C[NH+]2CCCCC2

InChI

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