5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Formula: C28H35N6O2+ MolecularWeight: 487.6165

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(C)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=C(C4=N3)C=C(C=C5)OC)C6CC6

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(C)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=C(C4=N3)C=C(C=C5)OC)C6CC6

InChI

InChI=1S/C28H34N6O2/c1-32-12-4-5-18(16-32)17-33(2)27(35)24-15-30-34(26(24)20-7-8-20)28-29-14-21-9-6-19-10-11-22(36-3)13-23(19)25(21)31-28/h10-11,13-15,18,20H,4-9,12,16-17H2,1-3H3/p+1/t18-/m0/s1