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

Systemtic Name: 3-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate Openeye Name: 3-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate CAS Name: 3-[3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]propoxy]benzoate IUPAC Name: 3-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzoate Traditional Name: 3-[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(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

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