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

Systemtic Name: 1-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[oxo-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C27H32N5O3S+ MolecularWeight: 506.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S)C(=O)N

InChI

InChI=1S/C27H31N5O3S/c28-25(35)27(31-14-4-1-5-15-31)12-16-30(17-13-27)23(33)20-10-8-19(9-11-20)18-32-24(34)21-6-2-3-7-22(21)29-26(32)36/h2-3,6-11H,1,4-5,12-18H2,(H2,28,35)(H,29,36)/p+1