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

Systemtic Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31N6O4+ MolecularWeight: 455.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O4/c1-17-18(2)28(9-6-14-33-3)23(19(17)15-24)25-22(30)16-26-10-12-27(13-11-26)20-7-4-5-8-21(20)29(31)32/h4-5,7-8H,6,9-14,16H2,1-3H3,(H,25,30)/p+1