2-azanyl-6-butyl-4-(2-methoxyphenyl)-5-propyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-butyl-4-(2-methoxyphenyl)-5-propyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-butyl-4-(2-methoxyphenyl)-5-propyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-butyl-4-(2-methoxyphenyl)-5-propyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-butyl-4-(2-methoxyphenyl)-5-propylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-butyl-4-(2-methoxyphenyl)-5-propyl-pyridin-1-ium-3-carbonitrile Formula: C20H26N3O+ MolecularWeight: 324.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)CCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)CCC

InChI

InChI=1S/C20H25N3O/c1-4-6-11-17-14(9-5-2)19(16(13-21)20(22)23-17)15-10-7-8-12-18(15)24-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H2,22,23)/p+1