[(2S)-2-ethylhexyl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3/c1-3-5-8-16(4-2)13-20-15-18-10-7-12-21(18)17-9-6-11-19-14-17/h6-7,9-12,14,16,20H,3-5,8,13,15H2,1-2H3/p+1/t16-/m0/s1