methyl 5-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[2-(butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(butylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(butylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H31N4O4+ MolecularWeight: 379.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C19H30N4O4/c1-5-6-7-20-15(24)12-22-8-10-23(11-9-22)18(25)17-13(2)16(14(3)21-17)19(26)27-4/h21H,5-12H2,1-4H3,(H,20,24)/p+1