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

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chlorobenzyl)-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23ClN5O+ MolecularWeight: 360.86112

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22ClN5O/c1-22(13-15-3-5-16(19)6-4-15)17(25)14-23-9-11-24(12-10-23)18-20-7-2-8-21-18/h2-8H,9-14H2,1H3/p+1