1-[4-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C23H30N2O2/c1-16(2)22-14-20(23(27)13-17(22)3)15-24-9-11-25(12-10-24)21-7-5-19(6-8-21)18(4)26/h5-8,13-14,16,27H,9-12,15H2,1-4H3/p+1