1-(3-aminophenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3-aminophenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(3-aminophenyl)-2-(4-benzylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-(3-aminophenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(3-aminophenyl)-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(3-aminophenyl)-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H24N2O/c21-19-8-4-7-18(14-19)20(23)15-22-11-9-17(10-12-22)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15,21H2/p+1