[3-tert-butyl-5-[(1-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanyl-phenyl]-(4-chlorophenyl)methanone

Systemtic Name: [3-tert-butyl-5-[(1-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanyl-phenyl]-(4-chlorophenyl)methanone Openeye Name: [3-tert-butyl-4-hydroxy-5-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]-(4-chlorophenyl)methanone CAS Name: [3-tert-butyl-4-hydroxy-5-[(1-methyl-1-piperazin-1-iumyl)methyl]phenyl]-(4-chlorophenyl)methanone IUPAC Name: [3-tert-butyl-4-hydroxy-5-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]-(4-chlorophenyl)methanone Traditional Name: [3-tert-butyl-4-hydroxy-5-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]-(4-chlorophenyl)methanone Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C[N+]2(CCNCC2)C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C[N+]2(CCNCC2)C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O2/c1-23(2,3)20-14-17(21(27)16-5-7-19(24)8-6-16)13-18(22(20)28)15-26(4)11-9-25-10-12-26/h5-8,13-14,25H,9-12,15H2,1-4H3/p+1