2-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(4-methoxy-3-methylphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O/c1-14-12-15(4-5-16(14)22-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3/p+1