(2S)-1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chlorobenzyl)oxy-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C19H25ClN3O2+ MolecularWeight: 362.8737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=C(C=C2)Cl)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C[C@@H](COCC2=CC=C(C=C2)Cl)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24ClN3O2/c20-17-6-4-16(5-7-17)14-25-15-18(24)13-22-9-11-23(12-10-22)19-3-1-2-8-21-19/h1-8,18,24H,9-15H2/p+1/t18-/m0/s1