methyl 4-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzoate

Systemtic Name: methyl 4-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzoate Openeye Name: methyl 4-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzoate CAS Name: 4-[[3-(1-piperidin-1-iumyl)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzoate Traditional Name: 4-[(3-piperidin-1-ium-1-ylpropylamino)methyl]benzoic acid methyl ester Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC[NH+]2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCC[NH+]2CCCCC2

InChI

InChI=1S/C17H26N2O2/c1-21-17(20)16-8-6-15(7-9-16)14-18-10-5-13-19-11-3-2-4-12-19/h6-9,18H,2-5,10-14H2,1H3/p+1