2,6-ditert-butyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Formula: C21H37N2O+ MolecularWeight: 333.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCCN(CC2)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCCN(CC2)C

InChI

InChI=1S/C21H36N2O/c1-20(2,3)17-13-16(14-18(19(17)24)21(4,5)6)15-23-10-8-9-22(7)11-12-23/h13-14,24H,8-12,15H2,1-7H3/p+1