N-[4-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide

Systemtic Name: N-[4-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide Openeye Name: N-[4-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H24N4O4/c26-19(22-16-7-8-16)14-24-9-11-25(12-10-24)21(28)15-3-5-17(6-4-15)23-20(27)18-2-1-13-29-18/h1-6,13,16H,7-12,14H2,(H,22,26)(H,23,27)/p+1