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

Systemtic Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2CCCOC)C)C)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2CCCOC)C)C)C#N

InChI

InChI=1S/C19H30N4O2/c1-14-7-5-8-22(12-14)13-18(24)21-19-17(11-20)15(2)16(3)23(19)9-6-10-25-4/h14H,5-10,12-13H2,1-4H3,(H,21,24)/p+1/t14-/m0/s1