N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)prop-1-enyl]aniline

Systemtic Name: N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)prop-1-enyl]aniline Openeye Name: N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)prop-1-enyl]aniline CAS Name: N,N-dimethyl-4-[(E)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]prop-1-enyl]aniline IUPAC Name: N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)prop-1-enyl]aniline Traditional Name: dimethyl-[4-[(E)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]prop-1-enyl]phenyl]amine Formula: C19H26N5+ MolecularWeight: 324.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5/c1-22(2)18-8-6-17(7-9-18)5-3-12-23-13-15-24(16-14-23)19-20-10-4-11-21-19/h3-11H,12-16H2,1-2H3/p+1/b5-3+