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

Systemtic Name: 2-azanyl-5-butyl-4-(2-methoxyphenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-butyl-4-(2-methoxyphenyl)-6-pentyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-butyl-4-(2-methoxyphenyl)-6-pentyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-butyl-4-(2-methoxyphenyl)-6-pentylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-amyl-5-butyl-4-(2-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)CCCC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2OC)CCCC

InChI

InChI=1S/C22H29N3O/c1-4-6-8-13-19-16(11-7-5-2)21(18(15-23)22(24)25-19)17-12-9-10-14-20(17)26-3/h9-10,12,14H,4-8,11,13H2,1-3H3,(H2,24,25)/p+1