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

Systemtic Name: [(2S)-2-ethylhexyl]-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium Formula: C20H31N2+ MolecularWeight: 299.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2/c1-4-6-10-18(5-2)15-21-16-20-12-8-13-22(20)19-11-7-9-17(3)14-19/h7-9,11-14,18,21H,4-6,10,15-16H2,1-3H3/p+1/t18-/m0/s1