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

Systemtic Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c25-21-10-5-16-3-1-2-4-19(16)20(21)15-22-11-13-23(14-12-22)17-6-8-18(9-7-17)24(26)27/h1-10,25H,11-15H2/p+1