2-[2-(azepan-1-ium-1-yl)ethoxy]-5-methyl-aniline

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-5-methyl-aniline Openeye Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-5-methyl-aniline CAS Name: 2-[2-(1-azepan-1-iumyl)ethoxy]-5-methylaniline IUPAC Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-5-methylaniline Traditional Name: [2-[2-(azepan-1-ium-1-yl)ethoxy]-5-methyl-phenyl]amine Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH+]2CCCCCC2)N

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH+]2CCCCCC2)N

InChI

InChI=1S/C15H24N2O/c1-13-6-7-15(14(16)12-13)18-11-10-17-8-4-2-3-5-9-17/h6-7,12H,2-5,8-11,16H2,1H3/p+1