[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxy-5-methylphenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methylphenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O2S/c1-13-3-5-16(23-2)15(11-13)18(22)21-9-7-20(8-10-21)12-14-4-6-17(19)24-14/h3-6,11H,7-10,12H2,1-2H3/p+1