4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(2-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(2-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C19H22ClN4O4+ MolecularWeight: 405.85538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O4/c1-28-18-7-6-15(20)12-14(18)13-22-8-10-23(11-9-22)19(25)21-16-4-2-3-5-17(16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)/p+1