(4-chloranyl-2-nitro-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-chloranyl-2-nitro-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-chloro-2-nitro-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-chloro-2-nitrophenyl)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-chloro-2-nitrophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-chloro-2-nitro-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H21ClN3O3+ MolecularWeight: 410.87344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3/c23-18-8-9-20(21(14-18)26(28)29)22(27)25-12-10-24(11-13-25)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2/p+1