1-[[3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[[3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-keto-3-(2-methoxyethyl)-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)NC1=S

InChI

InChI=1S/C23H31N5O4S/c1-32-14-13-28-20(30)17-6-5-16(15-18(17)25-22(28)33)19(29)26-11-7-23(8-12-26,21(24)31)27-9-3-2-4-10-27/h5-6,15H,2-4,7-14H2,1H3,(H2,24,31)(H,25,33)/p+1