6-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]hexanoate

Systemtic Name: 6-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]hexanoate Openeye Name: 6-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]hexanoate CAS Name: 6-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]hexanoate IUPAC Name: 6-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]hexanoate Traditional Name: 6-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]hexanoate Formula: C23H30N7O2+ MolecularWeight: 436.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCCCCC(=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCCCCCC(=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C23H29N7O2/c31-21(32)9-2-1-5-10-24-22-18-7-3-4-8-19(18)27-20(28-22)17-29-13-15-30(16-14-29)23-25-11-6-12-26-23/h3-4,6-8,11-12H,1-2,5,9-10,13-17H2,(H,31,32)(H,24,27,28)/p+1