N-(4-chloranyl-3-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(4-chloro-3-nitro-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-chloro-3-nitrophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(4-chloro-3-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(4-chloro-3-nitro-phenyl)piperazin-4-ium-1-carboxamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O3/c19-16-7-6-15(12-17(16)23(25)26)20-18(24)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,24)/p+1