[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl] ester Formula: C27H29N2O4+ MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c30-25-12-10-22(11-13-25)21-6-8-23(9-7-21)27(32)33-19-26(31)28-24-14-16-29(17-15-24)18-20-4-2-1-3-5-20/h1-13,24,30H,14-19H2,(H,28,31)/p+1