6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[[(E)-cinnamyl]thio]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C23H22N3S2+ MolecularWeight: 404.57088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC=CC3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SC/C=C/C3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C23H21N3S2/c1-26-12-11-20-19(16-26)22(21-10-6-13-27-21)18(15-24)23(25-20)28-14-5-9-17-7-3-2-4-8-17/h2-10,13H,11-12,14,16H2,1H3/p+1/b9-5+