2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N3O/c1-22(2)20-10-12-23(13-11-20)17-21(25)24-14-8-19(9-15-24)16-18-6-4-3-5-7-18/h3-7,10-13,19H,8-9,14-17H2,1-2H3/q+1