1-(2-methoxyphenyl)-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperazine Formula: C25H36N3O+ MolecularWeight: 394.57284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H35N3O/c1-29-25-14-6-5-13-24(25)28-19-17-27(18-20-28)23-12-8-16-26(21-23)15-7-11-22-9-3-2-4-10-22/h2-6,9-10,13-14,23H,7-8,11-12,15-21H2,1H3/p+1/t23-/m0/s1