2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-3-ium-4-amine

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-3-ium-4-amine Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-3-ium-4-amine CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-N-[[(2R)-2-oxolanyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-3-ium-4-amine Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C18H27N5O+2 MolecularWeight: 329.43988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NCC4CCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC[C@H]4CCCO4

InChI

InChI=1S/C18H25N5O/c1-22-8-10-23(11-9-22)18-20-16-7-3-2-6-15(16)17(21-18)19-13-14-5-4-12-24-14/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,20,21)/p+2/t14-/m1/s1