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

Systemtic Name: 2-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-3-ium-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-3-ium-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[4-[[(1S)-1-phenylethyl]amino]-2-quinazolin-3-iumyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-3-ium-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-3-ium-2-yl]piperazino]ethanol Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CCN(CC4)CCO

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CCN(CC4)CCO

InChI

InChI=1S/C22H27N5O/c1-17(18-7-3-2-4-8-18)23-21-19-9-5-6-10-20(19)24-22(25-21)27-13-11-26(12-14-27)15-16-28/h2-10,17,28H,11-16H2,1H3,(H,23,24,25)/p+1/t17-/m0/s1