2-[3-[[4-(diethylamino)phenyl]diazenyl]-2-(phenylmethyl)pyrazol-1-ium-1-yl]ethanol

Systemtic Name: 2-[3-[[4-(diethylamino)phenyl]diazenyl]-2-(phenylmethyl)pyrazol-1-ium-1-yl]ethanol Openeye Name: 2-[2-benzyl-3-[4-(diethylamino)phenyl]azo-pyrazol-1-ium-1-yl]ethanol CAS Name: 2-[3-[4-(diethylamino)phenyl]azo-2-(phenylmethyl)-1-pyrazol-1-iumyl]ethanol IUPAC Name: 2-[2-benzyl-3-[[4-(diethylamino)phenyl]diazenyl]pyrazol-1-ium-1-yl]ethanol Traditional Name: 2-[2-benzyl-3-[4-(diethylamino)phenyl]azo-pyrazol-1-ium-1-yl]ethanol Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2CC3=CC=CC=C3)CCO

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2CC3=CC=CC=C3)CCO

InChI

InChI=1S/C22H28N5O/c1-3-25(4-2)21-12-10-20(11-13-21)23-24-22-14-15-26(16-17-28)27(22)18-19-8-6-5-7-9-19/h5-15,28H,3-4,16-18H2,1-2H3/q+1