methyl 4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-24-21(23)20-9-7-19(8-10-20)16-22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3/p+1