cyclohexyl 4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate

Systemtic Name: cyclohexyl 4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate Openeye Name: cyclohexyl 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate CAS Name: 4-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate Traditional Name: 4-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyric acid cyclohexyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCCC(=O)OC2CCCCC2

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCCC(=O)OC2CCCCC2

InChI

InChI=1S/C17H24N2O3/c1-19-12-6-7-14(13-19)17(21)18-11-5-10-16(20)22-15-8-3-2-4-9-15/h6-7,12-13,15H,2-5,8-11H2,1H3/p+1