[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C19H27BrN3OS+ MolecularWeight: 425.40618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C19H26BrN3OS/c1-13(2)23-14(3)11-17(15(23)4)19(24)22-9-7-21(8-10-22)12-16-5-6-18(20)25-16/h5-6,11,13H,7-10,12H2,1-4H3/p+1