methyl 4-(azepan-1-ium-1-yl)butanoate

Systemtic Name: methyl 4-(azepan-1-ium-1-yl)butanoate Openeye Name: methyl 4-(azepan-1-ium-1-yl)butanoate CAS Name: 4-(1-azepan-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl 4-(azepan-1-ium-1-yl)butanoate Traditional Name: 4-(azepan-1-ium-1-yl)butyric acid methyl ester Formula: C11H22NO2+ MolecularWeight: 200.29788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC[NH+]1CCCCCC1

Isomeric SMILES

COC(=O)CCC[NH+]1CCCCCC1

InChI

InChI=1S/C11H21NO2/c1-14-11(13)7-6-10-12-8-4-2-3-5-9-12/h2-10H2,1H3/p+1