methyl 2-(azepan-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(azepan-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(azepan-1-ium-1-yl)acetate CAS Name: 2-(1-azepan-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ium-1-yl)acetate Traditional Name: 2-(azepan-1-ium-1-yl)acetic acid methyl ester Formula: C9H18NO2+ MolecularWeight: 172.24472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO2/c1-12-9(11)8-10-6-4-2-3-5-7-10/h2-8H2,1H3/p+1