1-[[4-(diethylamino)phenyl]methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-(diethylamino)phenyl]methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-(diethylamino)phenyl]methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(diethylamino)phenyl]methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-(diethylamino)phenyl]methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-(diethylamino)benzyl]-N-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C25H35N3O/c1-4-28(5-2)24-12-10-22(11-13-24)19-27-16-14-23(15-17-27)25(29)26-18-21-8-6-20(3)7-9-21/h6-13,23H,4-5,14-19H2,1-3H3,(H,26,29)/p+1