methyl 3-azanyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-azanyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-amino-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 3-amino-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-amino-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-25-21(24)18-8-5-9-20(22)19(18)15-23-12-10-17(11-13-23)14-16-6-3-2-4-7-16/h2-9,17H,10-15,22H2,1H3/p+1