2,6-bis[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-yl-phenol

Systemtic Name: 2,6-bis[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-2,6-bis[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,6-bis[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-propan-2-ylphenol IUPAC Name: 2,6-bis[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-ylphenol Traditional Name: 4-isopropyl-2,6-bis[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C31H42N4O+2 MolecularWeight: 486.69138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H40N4O/c1-25(2)26-21-27(23-32-13-17-34(18-14-32)29-9-5-3-6-10-29)31(36)28(22-26)24-33-15-19-35(20-16-33)30-11-7-4-8-12-30/h3-12,21-22,25,36H,13-20,23-24H2,1-2H3/p+2