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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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