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

Systemtic Name: N-cycloheptyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-cycloheptyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-cycloheptyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-cycloheptyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: cycloheptyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C24H33N7+2 MolecularWeight: 419.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCCC(CC1)NC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H31N7/c1-2-4-9-19(8-3-1)27-23-20-10-5-6-11-21(20)28-22(29-23)18-30-14-16-31(17-15-30)24-25-12-7-13-26-24/h5-7,10-13,19H,1-4,8-9,14-18H2,(H,27,28,29)/p+2