1-(naphthalen-1-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(1-naphthylmethyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(1-naphthalenylmethyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-naphthylmethyl)-4-(2-nitrobenzyl)piperazin-4-ium Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O2/c26-25(27)22-11-4-2-7-20(22)17-24-14-12-23(13-15-24)16-19-9-5-8-18-6-1-3-10-21(18)19/h1-11H,12-17H2/p+1