2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate

Systemtic Name: 2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate Openeye Name: 2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate CAS Name: 2-[3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]propoxy]benzoate IUPAC Name: 2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate Traditional Name: 2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CCCOC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-18-11-8-14(9-12-18)19(2)10-5-13-22-16-7-4-3-6-15(16)17(20)21/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,20,21)