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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-4-6-8-18-16(7-5-2)19(17(13-21)20(22)23-18)14-9-11-15(24-3)12-10-14/h9-12H,4-8H2,1-3H3,(H2,22,23)/p+1