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

Systemtic Name: methyl 5-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H23BrN3O3S+ MolecularWeight: 441.36252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-11-15(18(24)25-3)12(2)20-16(11)17(23)22-8-6-21(7-9-22)10-13-4-5-14(19)26-13/h4-5,20H,6-10H2,1-3H3/p+1