3-butoxypropyl-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C17H25ClN3O+ MolecularWeight: 322.8529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC=CN1C2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC=CN1C2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H24ClN3O/c1-2-3-12-22-13-6-9-19-14-15-7-5-11-21(15)16-8-4-10-20-17(16)18/h4-5,7-8,10-11,19H,2-3,6,9,12-14H2,1H3/p+1