S3,S5-diethyl 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbothioate

Systemtic Name: S3,S5-diethyl 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbothioate Openeye Name: S3,S5-diethyl 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbothioate CAS Name: 4-(1-hexadecyl-3-pyridin-1-iumyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbothioic acid S3,S5-diethyl ester IUPAC Name: 3-S,5-S-diethyl 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbothioate Traditional Name: 4-(1-cetylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbothioic acid S3,S5-diethyl ester Formula: C34H55N2O2S2+ MolecularWeight: 587.9427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)SCC)C)C)C(=O)SCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)SCC)C)C)C(=O)SCC

InChI

InChI=1S/C34H54N2O2S2/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36-25-22-23-29(26-36)32-30(33(37)39-7-2)27(4)35-28(5)31(32)34(38)40-8-3/h22-23,25-26,32H,6-21,24H2,1-5H3/p+1