N-[[(2S)-oxolan-2-yl]methyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine

Systemtic Name: N-[[(2S)-oxolan-2-yl]methyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-3-ium-4-amine CAS Name: N-[[(2S)-2-oxolanyl]methyl]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-3-ium-4-amine Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]-[[(2S)-tetrahydrofuran-2-yl]methyl]amine Formula: C24H31N5O+2 MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=[NH+]C(=NC3=CC=CC=C32)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](OC1)CNC2=[NH+]C(=NC3=CC=CC=C32)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H29N5O/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20/h1-5,7-8,10-11,20H,6,9,12-18H2,(H,25,26,27)/p+2/t20-/m0/s1