1-(naphthalen-1-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1-naphthylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(1-naphthalenylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-naphthylmethyl)-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C28H29N2O+ MolecularWeight: 409.54266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H28N2O/c1-2-12-26(13-3-1)31-27-14-6-8-23(20-27)21-29-16-18-30(19-17-29)22-25-11-7-10-24-9-4-5-15-28(24)25/h1-15,20H,16-19,21-22H2/p+1