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

Systemtic Name: 4-[(3R)-3-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]phenol Openeye Name: 4-[(3R)-3-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]phenol CAS Name: 4-[(3R)-3-[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]butyl]phenol IUPAC Name: 4-[(3R)-3-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]phenol Traditional Name: 4-[(3R)-3-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]phenol Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)C(C)CCC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)[C@H](C)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C22H30N2O/c1-17-4-5-18(2)22(16-17)24-14-12-23(13-15-24)19(3)6-7-20-8-10-21(25)11-9-20/h4-5,8-11,16,19,25H,6-7,12-15H2,1-3H3/p+1/t19-/m1/s1