1-(4-aminophenyl)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-aminophenyl)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-aminophenyl)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-aminophenyl)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-aminophenyl)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-aminophenyl)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-2-15-5-3-4-11-18(15)12-10-16(19)13-6-8-14(17)9-7-13/h6-9,15H,2-5,10-12,17H2,1H3/p+1/t15-/m0/s1