2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol Formula: C25H37N2O+ MolecularWeight: 381.57408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O/c1-24(2,3)19-25(4,5)21-11-12-23(28)20(17-21)18-26-13-15-27(16-14-26)22-9-7-6-8-10-22/h6-12,17,28H,13-16,18-19H2,1-5H3/p+1