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

Systemtic Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(2-methoxy-4-methylphenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(2-methoxy-4-methylphenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(2-methoxy-4-methyl-phenoxy)butyl]azepan-1-ium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-16-9-10-17(18(15-16)20-2)21-14-8-7-13-19-11-5-3-4-6-12-19/h9-10,15H,3-8,11-14H2,1-2H3/p+1