1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide CAS Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Formula: C24H29N6O+ MolecularWeight: 417.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)NCC5CCC[NH+](C5)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)NC[C@H]5CCC[NH+](C5)C

InChI

InChI=1S/C24H28N6O/c1-16-21(23(31)25-12-17-6-5-11-29(2)15-17)14-27-30(16)24-26-13-19-10-9-18-7-3-4-8-20(18)22(19)28-24/h3-4,7-8,13-14,17H,5-6,9-12,15H2,1-2H3,(H,25,31)/p+1/t17-/m1/s1