1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-(2,6-diethylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H30ClN2O+ MolecularWeight: 385.9501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H29ClN2O/c1-3-18-8-6-9-19(4-2)22(18)25-23(27)20-11-13-26(14-12-20)16-17-7-5-10-21(24)15-17/h5-10,15,20H,3-4,11-14,16H2,1-2H3,(H,25,27)/p+1