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

Systemtic Name: methyl 4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]benzoate CAS Name: 4-[[(1-methyl-4-piperidin-1-iumyl)methyl-phenethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethylamino]methyl]benzoate Traditional Name: 4-[[(1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-amino]methyl]benzoic acid methyl ester Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H32N2O2/c1-25-15-12-22(13-16-25)19-26(17-14-20-6-4-3-5-7-20)18-21-8-10-23(11-9-21)24(27)28-2/h3-11,22H,12-19H2,1-2H3/p+1