2-azanyl-5-ethyl-4-(4-phenylmethoxyphenyl)-6-propyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-5-ethyl-4-(4-phenylmethoxyphenyl)-6-propyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-5-ethyl-6-propyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-ethyl-4-(4-phenylmethoxyphenyl)-6-propyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-ethyl-4-(4-phenylmethoxyphenyl)-6-propylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-5-ethyl-6-propyl-pyridin-1-ium-3-carbonitrile Formula: C24H26N3O+ MolecularWeight: 372.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)CC

Isomeric SMILES

CCCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)CC

InChI

InChI=1S/C24H25N3O/c1-3-8-22-20(4-2)23(21(15-25)24(26)27-22)18-11-13-19(14-12-18)28-16-17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,16H2,1-2H3,(H2,26,27)/p+1