[1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C28H35N6O2+ MolecularWeight: 487.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CCC4=C(C3=N2)C=C(C=C4)OC)C(=O)N5CCC(CC5)[NH+]6CCCCC6

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CCC4=C(C3=N2)C=C(C=C4)OC)C(=O)N5CCC(CC5)[NH+]6CCCCC6

InChI

InChI=1S/C28H34N6O2/c1-19-25(27(35)33-14-10-22(11-15-33)32-12-4-3-5-13-32)18-30-34(19)28-29-17-21-7-6-20-8-9-23(36-2)16-24(20)26(21)31-28/h8-9,16-18,22H,3-7,10-15H2,1-2H3/p+1