1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-carboxylate Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C17H25NO3/c1-13(18-11-9-15(10-12-18)17(19)20)3-4-14-5-7-16(21-2)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,19,20)/t13-/m0/s1