2-(1-ethylpyrazol-4-yl)-7-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-7-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-7-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-7-methyl-N-[(3S)-1-methyl-3-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-7-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-7-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]cinchoninamide Formula: C22H28N5O+ MolecularWeight: 378.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=C(C=CC(=C3)C)C(=C2)C(=O)NC4CCC[NH+](C4)C

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=C(C=CC(=C3)C)C(=C2)C(=O)N[C@H]4CCC[NH+](C4)C

InChI

InChI=1S/C22H27N5O/c1-4-27-13-16(12-23-27)20-11-19(18-8-7-15(2)10-21(18)25-20)22(28)24-17-6-5-9-26(3)14-17/h7-8,10-13,17H,4-6,9,14H2,1-3H3,(H,24,28)/p+1/t17-/m0/s1