(2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H28ClN3O2+2 MolecularWeight: 377.90822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C20H26ClN3O2/c1-15-11-18(12-16(2)20(15)21)26-14-17(25)13-23-7-9-24(10-8-23)19-5-3-4-6-22-19/h3-6,11-12,17,25H,7-10,13-14H2,1-2H3/p+2/t17-/m0/s1