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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-ethanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(4-quinazolinyloxy)acetamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxyacetamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)COC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H30N4O2/c27-21(15-28-22-19-10-4-5-11-20(19)23-16-24-22)25-18-9-6-12-26(14-18)13-17-7-2-1-3-8-17/h4-5,10-11,16-18H,1-3,6-9,12-15H2,(H,25,27)/p+1/t18-/m0/s1