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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-amine CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-N-[[(2S)-2-oxolanyl]methyl]-4-quinazolinamine IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]-[[(2S)-tetrahydrofuran-2-yl]methyl]amine Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)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+1/t14-/m0/s1