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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N5O+ MolecularWeight: 366.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N5O/c1-16-17(2)26(14-18-7-5-4-6-8-18)21(19(16)13-22)23-20(27)15-25-11-9-24(3)10-12-25/h4-8H,9-12,14-15H2,1-3H3,(H,23,27)/p+1