2-azanyl-6-butyl-4-(3-ethoxy-4-oxidanyl-phenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-butyl-4-(3-ethoxy-4-oxidanyl-phenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-butyl-4-(3-ethoxy-4-hydroxy-phenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-butyl-4-(3-ethoxy-4-hydroxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-butyl-4-(3-ethoxy-4-hydroxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-butyl-4-(3-ethoxy-4-hydroxy-phenyl)pyridin-1-ium-3-carbonitrile Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C(=C(C(=C1)C2=CC(=C(C=C2)O)OCC)C#N)N

Isomeric SMILES

CCCCC1=[NH+]C(=C(C(=C1)C2=CC(=C(C=C2)O)OCC)C#N)N

InChI

InChI=1S/C18H21N3O2/c1-3-5-6-13-10-14(15(11-19)18(20)21-13)12-7-8-16(22)17(9-12)23-4-2/h7-10,22H,3-6H2,1-2H3,(H2,20,21)/p+1