1-[3-[[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(4-methoxyanilino)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-(4-methoxyanilino)-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(4-methoxyanilino)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(p-anisidino)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O2/c1-16(24)18-6-3-5-17(13-18)14-23-12-4-7-20(15-23)22-19-8-10-21(25-2)11-9-19/h3,5-6,8-11,13,20,22H,4,7,12,14-15H2,1-2H3/p+1/t20-/m0/s1