N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-ethanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-ethanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-(4-quinazolinyloxy)acetamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxyacetamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)COC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H29N5O2/c1-25-11-8-17(9-12-25)26-10-4-5-16(13-26)24-20(27)14-28-21-18-6-2-3-7-19(18)22-15-23-21/h2-3,6-7,15-17H,4-5,8-14H2,1H3,(H,24,27)/p+2/t16-/m0/s1