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

Systemtic Name: [1-[(3S)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-(1-phenyl-4-piperidinyl)-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C22H36N3O+ MolecularWeight: 358.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)N4CCC(CC4)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)N4CCC(CC4)CO

InChI

InChI=1S/C22H35N3O/c26-18-19-8-13-24(14-9-19)22-7-4-12-25(17-22)21-10-15-23(16-11-21)20-5-2-1-3-6-20/h1-3,5-6,19,21-22,26H,4,7-18H2/p+1/t22-/m0/s1