4-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]aniline

Systemtic Name: 4-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]aniline Openeye Name: 4-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]aniline CAS Name: 4-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propyl]aniline IUPAC Name: 4-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]aniline Traditional Name: [4-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]phenyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCC2=CC=C(C=C2)N

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCC2=CC=C(C=C2)N

InChI

InChI=1S/C16H26N2/c1-2-16-7-3-4-12-18(16)13-5-6-14-8-10-15(17)11-9-14/h8-11,16H,2-7,12-13,17H2,1H3/p+1/t16-/m0/s1