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

Systemtic Name: [1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: [1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: [1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: [1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]ammonium Formula: C18H27ClN3+ MolecularWeight: 320.88008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC=CN1C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H26ClN3/c1-3-5-8-15(4-2)13-20-14-16-9-7-12-22(16)17-10-6-11-21-18(17)19/h6-7,9-12,15,20H,3-5,8,13-14H2,1-2H3/p+1/t15-/m0/s1