(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: [2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C26H29N4+ MolecularWeight: 397.53526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C26H28N4/c1-21-17-25(22(2)30(21)26-9-6-13-28-18-26)20-29(19-24-10-14-27-15-11-24)16-12-23-7-4-3-5-8-23/h3-11,13-15,17-18H,12,16,19-20H2,1-2H3/p+1