[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C29H35N3O+2 MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O/c33-29(27-13-11-26(12-14-27)25-9-5-2-6-10-25)32-21-19-31(20-22-32)28-15-17-30(18-16-28)23-24-7-3-1-4-8-24/h1-14,28H,15-23H2/p+2