7-chloranyl-3-[3-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 7-chloro-3-[3-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]quinazolin-4-one CAS Name: 7-chloro-3-[3-[(2R)-2-(hydroxymethyl)-1-piperidin-1-iumyl]propyl]-4-quinazolinone IUPAC Name: 7-chloro-3-[3-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]propyl]quinazolin-4-one Traditional Name: 7-chloro-3-[3-[(2R)-2-methylolpiperidin-1-ium-1-yl]propyl]quinazolin-4-one Formula: C17H23ClN3O2+ MolecularWeight: 336.83642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CO)CCCN2C=NC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

C1CC[NH+]([C@H](C1)CO)CCCN2C=NC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C17H22ClN3O2/c18-13-5-6-15-16(10-13)19-12-21(17(15)23)9-3-8-20-7-2-1-4-14(20)11-22/h5-6,10,12,14,22H,1-4,7-9,11H2/p+1/t14-/m1/s1