N-[2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]ethyl]-2-furamide Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-14-4-5-15(13-16(14)23(26)27)19(25)22-10-8-21(9-11-22)7-6-20-18(24)17-3-2-12-28-17/h2-5,12-13H,6-11H2,1H3,(H,20,24)/p+1