ethyl 2-(1,4-diazepan-4-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(1,4-diazepan-4-ium-1-yl)ethanoate Openeye Name: ethyl 2-(1,4-diazepan-4-ium-1-yl)acetate CAS Name: 2-(1,4-diazepan-4-ium-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1,4-diazepan-4-ium-1-yl)acetate Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)acetic acid ethyl ester Formula: C9H19N2O2+ MolecularWeight: 187.25936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC[NH2+]CC1

Isomeric SMILES

CCOC(=O)CN1CCC[NH2+]CC1

InChI

InChI=1S/C9H18N2O2/c1-2-13-9(12)8-11-6-3-4-10-5-7-11/h10H,2-8H2,1H3/p+1