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

Systemtic Name: N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: methyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C18H23N7+2 MolecularWeight: 337.42212

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CNC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N7/c1-19-17-14-5-2-3-6-15(14)22-16(23-17)13-24-9-11-25(12-10-24)18-20-7-4-8-21-18/h2-8H,9-13H2,1H3,(H,19,22,23)/p+2