3-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]propan-1-ol

Systemtic Name: 3-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]propan-1-ol Openeye Name: 3-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]propan-1-ol CAS Name: 3-[[3-(2-chlorophenyl)-1-phenyl-4-pyrazol-1-iumylidene]methylamino]-1-propanol IUPAC Name: 3-[[3-(2-chlorophenyl)-1-phenylpyrazol-1-ium-4-ylidene]methylamino]propan-1-ol Traditional Name: 3-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]propan-1-ol Formula: C19H19ClN3O+ MolecularWeight: 340.82666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CC(=CNCCCO)C(=N2)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CC(=CNCCCO)C(=N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O/c20-18-10-5-4-9-17(18)19-15(13-21-11-6-12-24)14-23(22-19)16-7-2-1-3-8-16/h1-5,7-10,13-14,24H,6,11-12H2/p+1