3-[4-(2-methoxyethyl)-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[4-(2-methoxyethyl)-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-(2-methoxyethyl)-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-(2-methoxyethyl)-3-[2-(1-piperidin-1-iumyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-(2-methoxyethyl)-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-(2-methoxyethyl)-3-(2-piperidin-1-ium-1-ylethylthio)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCCCC4

Isomeric SMILES

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCCCC4

InChI

InChI=1S/C22H28N4O2S/c1-28-13-11-26-21(19-15-17-7-3-4-8-18(17)16-20(19)27)23-24-22(26)29-14-12-25-9-5-2-6-10-25/h3-4,7-8,15-16,23H,2,5-6,9-14H2,1H3/p+1