1-[1-[(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)carbonyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)carbonyl]piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[oxo-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C26H29N6O2S+ MolecularWeight: 489.61246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4

InChI

InChI=1S/C26H28N6O2S/c27-23(33)16-7-11-30(12-8-16)18-9-13-31(14-10-18)25(34)17-5-6-19-21(15-17)29-26(35)32-22-4-2-1-3-20(22)28-24(19)32/h1-6,15-16,18H,7-14H2,(H2,27,33)(H,29,35)/p+1