4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline

Systemtic Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline Openeye Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline Traditional Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]amine Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C13H20N2/c1-11-3-2-8-15(9-11)10-12-4-6-13(14)7-5-12/h4-7,11H,2-3,8-10,14H2,1H3/p+1/t11-/m0/s1