2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(2,5-dimethylbenzyl)piperazin-4-ium-1-yl]phenol Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C19H24N2O/c1-15-7-8-16(2)17(13-15)14-20-9-11-21(12-10-20)18-5-3-4-6-19(18)22/h3-8,13,22H,9-12,14H2,1-2H3/p+1