N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-yl-propylidene]benzamide chloride

Systemtic Name: N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-yl-propylidene]benzamide chloride Openeye Name: N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-yl-propylidene]benzamide chloride CAS Name: N-[1-(4-chlorophenyl)-2-methyl-2-(1-piperidin-1-iumyl)propylidene]benzamide chloride IUPAC Name: N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-ylpropylidene]benzamide chloride Traditional Name: N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-yl-propylidene]benzamide chloride Formula: C22H26Cl2N2O MolecularWeight: 405.36064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=NC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CC(C)(C(=NC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C22H25ClN2O.ClH/c1-22(2,25-15-7-4-8-16-25)20(17-11-13-19(23)14-12-17)24-21(26)18-9-5-3-6-10-18;/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3;1H