[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C30H37N3O2+2 MolecularWeight: 471.63368

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O2/c34-30(33-20-18-32(19-21-33)23-25-8-3-1-4-9-25)27-14-16-31(17-15-27)24-26-10-7-13-29(22-26)35-28-11-5-2-6-12-28/h1-13,22,27H,14-21,23-24H2/p+2