1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(3-phenoxybenzyl)piperazine-1,4-diium Formula: C24H28N2O+2 MolecularWeight: 360.49192

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O/c1-3-8-21(9-4-1)19-25-14-16-26(17-15-25)20-22-10-7-13-24(18-22)27-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2/p+2