N-[(2-bromophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-bromobenzyl)-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23BrN5O+ MolecularWeight: 405.31212

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22BrN5O/c1-22(13-15-5-2-3-6-16(15)19)17(25)14-23-9-11-24(12-10-23)18-20-7-4-8-21-18/h2-8H,9-14H2,1H3/p+1