4,6-dimethyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]pyrimidine

Systemtic Name: 4,6-dimethyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]pyrimidine Openeye Name: 4,6-dimethyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]pyrimidine CAS Name: 4,6-dimethyl-2-[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 4,6-dimethyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]pyrimidine Traditional Name: 4,6-dimethyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]pyrimidine Formula: C21H26N5+ MolecularWeight: 348.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5/c1-17-15-18(2)23-21(22-17)26-10-6-9-20(26)16-24-11-13-25(14-12-24)19-7-4-3-5-8-19/h3-10,15H,11-14,16H2,1-2H3/p+1