N-[3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]furan-2-carboxamide

Systemtic Name: N-[3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]furan-2-carboxamide Openeye Name: N-[3-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]furan-2-carboxamide CAS Name: N-[3-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-2-furancarboxamide IUPAC Name: N-[3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]furan-2-carboxamide Traditional Name: N-[3-keto-3-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-yl]propyl]-2-furamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26N4O4/c1-16-4-6-17(7-5-16)23-19(26)15-24-10-12-25(13-11-24)20(27)8-9-22-21(28)18-3-2-14-29-18/h2-7,14H,8-13,15H2,1H3,(H,22,28)(H,23,26)/p+1