[(2S)-2-ethylhexyl]-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O/c1-4-6-8-16(5-2)13-20-14-17-9-7-12-22(17)18-10-11-19(23-3)21-15-18/h7,9-12,15-16,20H,4-6,8,13-14H2,1-3H3/p+1/t16-/m0/s1