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

Systemtic Name: [2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [2,5-dimethyl-1-(3-pyridylmethyl)pyrrol-3-yl]methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: [2,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolyl]methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrol-3-yl]methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2,5-dimethyl-1-(3-pyridylmethyl)pyrrol-3-yl]methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C27H31N4+ MolecularWeight: 411.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CN=CC=C2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CN=CC=C2)C)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C27H30N4/c1-22-17-27(23(2)31(22)20-26-9-6-13-29-18-26)21-30(19-25-10-14-28-15-11-25)16-12-24-7-4-3-5-8-24/h3-11,13-15,17-18H,12,16,19-21H2,1-2H3/p+1