2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-nicotinonitrile Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H25N5OS/c1-16-12-17(2)25-22(21(16)13-24)28-10-8-27(9-11-28)14-19-15-30-23(26-19)18-4-6-20(29-3)7-5-18/h4-7,12,15H,8-11,14H2,1-3H3/p+1