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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(=O)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)CC(=O)OC

InChI

InChI=1S/C9H18N2O2/c1-10-4-3-5-11(7-6-10)8-9(12)13-2/h3-8H2,1-2H3/p+1