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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-3-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-3-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3/c1-13-14(2)24(11-15-4-3-9-27-15)19(16(13)10-20)22-17(25)5-7-23-8-6-21-18(26)12-23/h3-4,9H,5-8,11-12H2,1-2H3,(H,21,26)(H,22,25)/p+1