3-butoxypropyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[1-(4-cyanophenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]ammonium Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O/c1-2-3-13-23-14-5-11-21-16-19-6-4-12-22(19)18-9-7-17(15-20)8-10-18/h4,6-10,12,21H,2-3,5,11,13-14,16H2,1H3/p+1