2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-methoxy-pyrimidine

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-methoxy-pyrimidine Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-methoxy-pyrimidine CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-4-methoxypyrimidine IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-methoxypyrimidine Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O/c1-22-15-6-7-18-16(19-15)21-10-8-20(9-11-21)12-13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3/p+1