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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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