(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one

Systemtic Name: (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one Openeye Name: (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)propan-1-one CAS Name: (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one Traditional Name: (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-(4-pyrrolidin-1-ium-1-ylpiperidino)propan-1-one Formula: C24H31N2O3+ MolecularWeight: 395.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCN(CC2)C(=O)CC(C3=CC=C(C=C3)O)C4=CC(=CC=C4)O

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)C(=O)C[C@@H](C3=CC=C(C=C3)O)C4=CC(=CC=C4)O

InChI

InChI=1S/C24H30N2O3/c27-21-8-6-18(7-9-21)23(19-4-3-5-22(28)16-19)17-24(29)26-14-10-20(11-15-26)25-12-1-2-13-25/h3-9,16,20,23,27-28H,1-2,10-15,17H2/p+1/t23-/m0/s1