methyl 3-(azepan-1-ium-1-yl)propanoate

Systemtic Name: methyl 3-(azepan-1-ium-1-yl)propanoate Openeye Name: methyl 3-(azepan-1-ium-1-yl)propanoate CAS Name: 3-(1-azepan-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 3-(azepan-1-ium-1-yl)propanoate Traditional Name: 3-(azepan-1-ium-1-yl)propionic acid methyl ester Formula: C10H20NO2+ MolecularWeight: 186.2713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO2/c1-13-10(12)6-9-11-7-4-2-3-5-8-11/h2-9H2,1H3/p+1