2,2-diphenyl-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2,2-diphenyl-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 2,2-diphenyl-1-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C30H37N3O+2 MolecularWeight: 455.63428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O/c34-30(29(26-12-6-2-7-13-26)27-14-8-3-9-15-27)33-22-20-32(21-23-33)28-16-18-31(19-17-28)24-25-10-4-1-5-11-25/h1-15,28-29H,16-24H2/p+2