methyl 4-[[(2S)-2-[(4-pyridin-3-yloxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-[(4-pyridin-3-yloxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-[[4-(3-pyridyloxy)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-[oxo-[4-(3-pyridinyloxy)anilino]methyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(4-pyridin-3-yloxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-[[4-(3-pyridyloxy)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C26H28N3O4+ MolecularWeight: 446.51822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-32-26(31)20-9-7-19(8-10-20)18-29-16-3-2-6-24(29)25(30)28-21-11-13-22(14-12-21)33-23-5-4-15-27-17-23/h4-5,7-15,17,24H,2-3,6,16,18H2,1H3,(H,28,30)/p+1/t24-/m0/s1