N-[3-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(2-furfuryl)piperazin-4-ium-1-yl]-3-keto-propyl]-4-nitro-benzamide Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c24-18(22-11-9-21(10-12-22)14-17-2-1-13-28-17)7-8-20-19(25)15-3-5-16(6-4-15)23(26)27/h1-6,13H,7-12,14H2,(H,20,25)/p+1