2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinazolin-3-ium-4-amine

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinazolin-3-ium-4-amine Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]quinazolin-3-ium-4-amine CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-4-quinazolin-3-iumamine IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinazolin-3-ium-4-amine Traditional Name: [2-[4-[(E)-cinnamyl]piperazino]quinazolin-3-ium-4-yl]amine Formula: C21H24N5+ MolecularWeight: 346.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)N

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)N

InChI

InChI=1S/C21H23N5/c22-20-18-10-4-5-11-19(18)23-21(24-20)26-15-13-25(14-16-26)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H2,22,23,24)/p+1/b9-6+