methyl 3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanoate

Systemtic Name: methyl 3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanoate Openeye Name: methyl 3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanoate CAS Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanoate Traditional Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)propionic acid methyl ester Formula: C10H21N2O2+ MolecularWeight: 201.28594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O2/c1-11-5-3-6-12(9-8-11)7-4-10(13)14-2/h3-9H2,1-2H3/p+1