(2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H26ClN3O2+2 MolecularWeight: 363.88164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)Cl

InChI

InChI=1S/C19H24ClN3O2/c1-15-12-17(5-6-18(15)20)25-14-16(24)13-22-8-10-23(11-9-22)19-4-2-3-7-21-19/h2-7,12,16,24H,8-11,13-14H2,1H3/p+2/t16-/m0/s1