3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)O)C

InChI

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