3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC[NH+]3CCCCC3

InChI

InChI=1S/C18H25N3O2S/c1-23-13-11-21-17(22)15-7-3-4-8-16(15)19-18(21)24-14-12-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-14H2,1H3/p+1