N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C19H30N5O3+ MolecularWeight: 376.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)CCCOC)C

InChI

InChI=1S/C19H29N5O3/c1-14-15(2)24(6-5-11-27-4)19(17(14)12-20)21-18(26)13-22-7-9-23(10-8-22)16(3)25/h5-11,13H2,1-4H3,(H,21,26)/p+1