[1-(4-cyanophenyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [1-(4-cyanophenyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: [1-(4-cyanophenyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: [1-(4-cyanophenyl)-2-pyrrolyl]methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [1-(4-cyanophenyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: [1-(4-cyanophenyl)pyrrol-2-yl]methyl-[(2S)-2-ethylhexyl]ammonium Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-3-5-7-17(4-2)15-22-16-20-8-6-13-23(20)19-11-9-18(14-21)10-12-19/h6,8-13,17,22H,3-5,7,15-16H2,1-2H3/p+1/t17-/m0/s1