4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl-[(1-methylpyrrol-2-yl)methyl]azanium

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl-[(1-methylpyrrol-2-yl)methyl]azanium Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl-[(1-methylpyrrol-2-yl)methyl]ammonium CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl-[(1-methyl-2-pyrrolyl)methyl]ammonium IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl-[(1-methylpyrrol-2-yl)methyl]azanium Traditional Name: 4-(2,4-ditert-amylphenoxy)butyl-[(1-methylpyrrol-2-yl)methyl]ammonium Formula: C26H43N2O+ MolecularWeight: 399.63242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[NH2+]CC2=CC=CN2C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[NH2+]CC2=CC=CN2C)C(C)(C)CC

InChI

InChI=1S/C26H42N2O/c1-8-25(3,4)21-14-15-24(23(19-21)26(5,6)9-2)29-18-11-10-16-27-20-22-13-12-17-28(22)7/h12-15,17,19,27H,8-11,16,18,20H2,1-7H3/p+1