4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]phenol Formula: C18H23N2O+ MolecularWeight: 283.38802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O/c1-15-3-2-4-16(13-15)14-19-9-11-20(12-10-19)17-5-7-18(21)8-6-17/h2-8,13,21H,9-12,14H2,1H3/p+1