N-methyl-N-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-methyl-N-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-methyl-N-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-methyl-N-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-methyl-N-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: methyl-phenyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C24H27N7+2 MolecularWeight: 413.51808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN(C1=CC=CC=C1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H25N7/c1-29(19-8-3-2-4-9-19)23-20-10-5-6-11-21(20)27-22(28-23)18-30-14-16-31(17-15-30)24-25-12-7-13-26-24/h2-13H,14-18H2,1H3/p+2