N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-nitrophenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c24-19(20-17-6-8-18(9-7-17)23(25)26)22-14-12-21(13-15-22)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,20,24)/p+1