N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)CC3=CC=CO3)C

InChI

InChI=1S/C18H21N5O3/c1-12-13(2)23(9-14-4-3-7-26-14)18(15(12)8-19)21-17(25)11-22-6-5-20-16(24)10-22/h3-4,7H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,25)/p+1