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

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: 2-(1H-indol-3-yl)ethyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C27H30N8+2 MolecularWeight: 466.5807

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCC4=CNC5=CC=CC=C54)C6=NC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCC4=CNC5=CC=CC=C54)C6=NC=CC=N6

InChI

InChI=1S/C27H28N8/c1-3-8-23-21(6-1)20(18-31-23)10-13-28-26-22-7-2-4-9-24(22)32-25(33-26)19-34-14-16-35(17-15-34)27-29-11-5-12-30-27/h1-9,11-12,18,31H,10,13-17,19H2,(H,28,32,33)/p+2