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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)Br

InChI

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