1-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c22-16-6-7-19(20(13-16)25(27)28)24-11-9-23(10-12-24)14-18-17-4-2-1-3-15(17)5-8-21(18)26/h1-8,13,26H,9-12,14H2/p+1