3,5-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 3,5-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 3,5-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 3,5-dimethyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 3,5-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 3,5-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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