[4-[[(4-chlorophenyl)carbonylamino]methyl]-1-(phenylmethyl)piperidin-1-ium-4-yl]-dimethyl-azanium

Systemtic Name: [4-[[(4-chlorophenyl)carbonylamino]methyl]-1-(phenylmethyl)piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [1-benzyl-4-[[(4-chlorobenzoyl)amino]methyl]piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [4-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-1-(phenylmethyl)-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [1-benzyl-4-[[(4-chlorobenzoyl)amino]methyl]piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [1-benzyl-4-[[(4-chlorobenzoyl)amino]methyl]piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C22H30ClN3O+2 MolecularWeight: 387.9461

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CC[NH+](CC1)CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)C1(CC[NH+](CC1)CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O/c1-25(2)22(17-24-21(27)19-8-10-20(23)11-9-19)12-14-26(15-13-22)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,24,27)/p+2