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6-methyl-2-[(4-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
6-methyl-2-[(4-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)CSC2=NC3=C(C[NH+](CC3)C)C(=C2C#N)C4=CC=CS4
Isomeric SMILES
CC1=CC=C(C=C1)CSC2=NC3=C(C[NH+](CC3)C)C(=C2C#N)C4=CC=CS4
InChI
InChI=1S/C22H21N3S2/c1-15-5-7-16(8-6-15)14-27-22-17(12-23)21(20-4-3-11-26-20)18-13-25(2)10-9-19(18)24-22/h3-8,11H,9-10,13-14H2,1-2H3/p+1
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