2-[[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-yl]amino]ethanol

Systemtic Name: 2-[[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-yl]amino]ethanol Openeye Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amino]ethanol CAS Name: 2-[[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-quinazolin-3-iumyl]amino]ethanol IUPAC Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amino]ethanol Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amino]ethanol Formula: C21H27N5O+2 MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCCO

InChI

InChI=1S/C21H25N5O/c27-15-10-22-20-18-8-4-5-9-19(18)23-21(24-20)26-13-11-25(12-14-26)16-17-6-2-1-3-7-17/h1-9,27H,10-16H2,(H,22,23,24)/p+2