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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CCCOC)C

InChI

InChI=1S/C19H30N4O2/c1-15-16(2)23(11-8-12-25-3)19(17(15)13-20)21-18(24)14-22-9-6-4-5-7-10-22/h4-12,14H2,1-3H3,(H,21,24)/p+1