4-[(3R)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butyl]phenol

Systemtic Name: 4-[(3R)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butyl]phenol Openeye Name: 4-[(3R)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]butyl]phenol CAS Name: 4-[(3R)-3-[4-(2-pyridinyl)-1-piperazin-1-iumyl]butyl]phenol IUPAC Name: 4-[(3R)-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butyl]phenol Traditional Name: 4-[(3R)-3-[4-(2-pyridyl)piperazin-1-ium-1-yl]butyl]phenol Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H25N3O/c1-16(5-6-17-7-9-18(23)10-8-17)21-12-14-22(15-13-21)19-4-2-3-11-20-19/h2-4,7-11,16,23H,5-6,12-15H2,1H3/p+1/t16-/m1/s1