N-ethyl-N-methyl-6-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidin-4-amine

Systemtic Name: N-ethyl-N-methyl-6-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidin-4-amine Openeye Name: N-ethyl-N-methyl-6-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidin-4-amine CAS Name: N-ethyl-N-methyl-6-[3-[1-[[(3S)-1-methyl-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]-4-pyrimidinamine IUPAC Name: N-ethyl-N-methyl-6-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidin-4-amine Traditional Name: ethyl-methyl-[6-[3-[1-[[(3S)-1-methylpyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]pyrimidin-4-yl]amine Formula: C22H29N6+ MolecularWeight: 377.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=NC=NC(=C1)C2=CC=CC(=C2)C3=NN(C=C3)CC4CC[NH+](C4)C

Isomeric SMILES

CCN(C)C1=NC=NC(=C1)C2=CC=CC(=C2)C3=NN(C=C3)C[C@H]4CC[NH+](C4)C

InChI

InChI=1S/C22H28N6/c1-4-27(3)22-13-21(23-16-24-22)19-7-5-6-18(12-19)20-9-11-28(25-20)15-17-8-10-26(2)14-17/h5-7,9,11-13,16-17H,4,8,10,14-15H2,1-3H3/p+1/t17-/m0/s1