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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

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