methyl 2-ethyl-5-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-5-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-5-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-5-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-oxomethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-5-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC)C)C(=O)OC

InChI

InChI=1S/C22H30N4O3/c1-5-18-19(22(28)29-4)15(3)20(24-18)21(27)23-16-7-9-17(10-8-16)26-13-11-25(6-2)12-14-26/h7-10,24H,5-6,11-14H2,1-4H3,(H,23,27)/p+1