N,N-dimethyl-3-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]aniline

Systemtic Name: N,N-dimethyl-3-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]aniline Openeye Name: N,N-dimethyl-3-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]aniline CAS Name: N,N-dimethyl-3-[3-[1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]aniline IUPAC Name: N,N-dimethyl-3-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]aniline Traditional Name: dimethyl-[3-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]phenyl]amine Formula: C22H27N4+ MolecularWeight: 347.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2=CC(=CC=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2=CC(=CC=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C22H26N4/c1-25(2)21-8-4-6-19(14-21)18-5-3-7-20(13-18)22-10-12-26(24-22)16-17-9-11-23-15-17/h3-8,10,12-14,17,23H,9,11,15-16H2,1-2H3/p+1/t17-/m0/s1