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

Systemtic Name: 6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H21N5OS/c1-27-19-5-3-17(4-6-19)21-24-18(15-28-21)14-25-8-10-26(11-9-25)20-7-2-16(12-22)13-23-20/h2-7,13,15H,8-11,14H2,1H3/p+1