2-azanyl-6-methyl-4-phenyl-5-propyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-methyl-4-phenyl-5-propyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-methyl-4-phenyl-5-propyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-methyl-4-phenyl-5-propyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-methyl-4-phenyl-5-propylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-methyl-4-phenyl-5-propyl-pyridin-1-ium-3-carbonitrile Formula: C16H18N3+ MolecularWeight: 252.33422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([NH+]=C(C(=C1C2=CC=CC=C2)C#N)N)C

Isomeric SMILES

CCCC1=C([NH+]=C(C(=C1C2=CC=CC=C2)C#N)N)C

InChI

InChI=1S/C16H17N3/c1-3-7-13-11(2)19-16(18)14(10-17)15(13)12-8-5-4-6-9-12/h4-6,8-9H,3,7H2,1-2H3,(H2,18,19)/p+1