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

Systemtic Name: 4-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]propoxy]benzoate Openeye Name: 4-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]propoxy]benzoate CAS Name: 4-[3-[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]propoxy]benzoate IUPAC Name: 4-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]propoxy]benzoate Traditional Name: 4-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]propoxy]benzoate Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-18-11-8-15(9-12-18)19(2)10-3-13-22-16-6-4-14(5-7-16)17(20)21/h4-7,15H,3,8-13H2,1-2H3,(H,20,21)/p+1