(2S)-2-(3-chloranylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(3-chloranylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(3-chlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(3-chlorophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(3-chlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(3-chlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O2/c1-14(24-16-6-4-5-15(19)13-16)18(23)22-11-9-21(10-12-22)17-7-2-3-8-20-17/h2-8,13-14H,9-12H2,1H3/p+1/t14-/m0/s1