1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]azepan-1-ium

Systemtic Name: 1-[4-(4-bromanyl-2-methyl-phenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(4-bromo-2-methylphenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]azepan-1-ium Formula: C17H27BrNO+ MolecularWeight: 341.30638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCCC[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCCC[NH+]2CCCCCC2

InChI

InChI=1S/C17H26BrNO/c1-15-14-16(18)8-9-17(15)20-13-7-6-12-19-10-4-2-3-5-11-19/h8-9,14H,2-7,10-13H2,1H3/p+1