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

Systemtic Name: 2-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3/p+1