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

Systemtic Name: [4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(2-naphthylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(2-naphthalenylmethyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(2-naphthylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C22H22N3O3+ MolecularWeight: 376.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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