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

Systemtic Name: 4-chloranyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline Openeye Name: 4-chloro-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: 4-chloro-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]aniline Traditional Name: [4-chloro-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]amine Formula: C13H20ClN2+ MolecularWeight: 239.7643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2/c1-10-3-2-6-16(8-10)9-11-7-12(15)4-5-13(11)14/h4-5,7,10H,2-3,6,8-9,15H2,1H3/p+1/t10-/m0/s1