[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(m-tolyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3-methylphenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(m-tolyl)methanone Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2OS/c1-13-3-2-4-14(11-13)17(21)20-9-7-19(8-10-20)12-15-5-6-16(18)22-15/h2-6,11H,7-10,12H2,1H3/p+1