naphthalen-1-yl-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1-naphthyl-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1-naphthalenyl-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-1-yl-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1-naphthyl-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3/c26-22(21-10-4-7-18-6-1-2-9-20(18)21)24-13-11-23(12-14-24)16-17-5-3-8-19(15-17)25(27)28/h1-10,15H,11-14,16H2/p+1