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

Systemtic Name: 5-(diethylamino)-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 5-(diethylamino)-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 5-(diethylamino)-2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 5-(diethylamino)-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 5-(diethylamino)-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)O

InChI

InChI=1S/C23H33N3O/c1-5-25(6-2)21-11-10-20(23(27)16-21)17-24-12-14-26(15-13-24)22-9-7-8-18(3)19(22)4/h7-11,16,27H,5-6,12-15,17H2,1-4H3/p+1