5,6-dimethyl-2-[[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(E)-4-[3-(1-piperidin-1-iumylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)NCC=CCOC2=CC=CC(=C2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(NC(=NC1=O)NC/C=C/COC2=CC=CC(=C2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H30N4O2/c1-17-18(2)24-22(25-21(17)27)23-11-4-7-14-28-20-10-8-9-19(15-20)16-26-12-5-3-6-13-26/h4,7-10,15H,3,5-6,11-14,16H2,1-2H3,(H2,23,24,25,27)/p+1/b7-4+