4-(2-hydroxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-hydroxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide Openeye Name: 4-(2-hydroxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide CAS Name: 4-(2-hydroxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-hydroxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazine-1-carboxamide Traditional Name: 4-(2-hydroxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)N2CCN(CC2)C3=CC=CC=C3O)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)N2CCN(CC2)C3=CC=CC=C3O)[NH+]4CCCC4

InChI

InChI=1S/C24H32N4O3/c1-31-20-10-8-19(9-11-20)22(26-12-4-5-13-26)18-25-24(30)28-16-14-27(15-17-28)21-6-2-3-7-23(21)29/h2-3,6-11,22,29H,4-5,12-18H2,1H3,(H,25,30)/p+1/t22-/m0/s1