4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C20H32N2O2/c1-20(2,3)17-8-10-18(11-9-17)24-16-5-7-19(23)22-13-6-12-21(4)14-15-22/h8-11H,5-7,12-16H2,1-4H3/p+1