1-phenyl-4-[(3S)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-phenyl-4-[(3S)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-phenyl-4-[(3S)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-phenyl-4-[(3S)-1-(1-phenyl-4-piperidinyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-phenyl-4-[(3S)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-phenyl-4-[(3S)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-yl]piperazine Formula: C26H37N4+ MolecularWeight: 405.59878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H36N4/c1-3-8-23(9-4-1)27-16-13-25(14-17-27)30-15-7-12-26(22-30)29-20-18-28(19-21-29)24-10-5-2-6-11-24/h1-6,8-11,25-26H,7,12-22H2/p+1/t26-/m0/s1