3-(3,4-dichlorophenyl)-4-oxidanyl-2-oxidanylidene-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide

Systemtic Name: 3-(3,4-dichlorophenyl)-4-oxidanyl-2-oxidanylidene-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide Openeye Name: 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide CAS Name: 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-[3-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide Traditional Name: 3-(3,4-dichlorophenyl)-4-hydroxy-2-keto-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide Formula: C28H37Cl2N5O3+2 MolecularWeight: 562.53108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC[NH+](CC2)CCCNC(=O)C3(C4=CC=CC=C4NC(=O)N3C5=CC(=C(C=C5)Cl)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C2CC[NH+](CC2)CCCNC(=O)C3(C4=CC=CC=C4NC(=O)N3C5=CC(=C(C=C5)Cl)Cl)O

InChI

InChI=1S/C28H35Cl2N5O3/c29-23-10-9-21(19-24(23)30)35-27(37)32-25-8-3-2-7-22(25)28(35,38)26(36)31-13-6-14-33-17-11-20(12-18-33)34-15-4-1-5-16-34/h2-3,7-10,19-20,38H,1,4-6,11-18H2,(H,31,36)(H,32,37)/p+2