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

Systemtic Name: 2-[4-[4-[(phenylmethyl)amino]quinazolin-3-ium-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[4-(benzylamino)quinazolin-3-ium-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[4-[(phenylmethyl)amino]-2-quinazolin-3-iumyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[4-(benzylamino)quinazolin-3-ium-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[4-(benzylamino)quinazolin-3-ium-2-yl]piperazino]ethanol Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=CC=C4

InChI

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