1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C20H29N5O2+2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C(=O)N

InChI

InChI=1S/C20H27N5O2/c21-19(27)20(25-10-4-1-5-11-25)8-12-24(13-9-20)14-17-22-16-7-3-2-6-15(16)18(26)23-17/h2-3,6-7H,1,4-5,8-14H2,(H2,21,27)(H,22,23,26)/p+2