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

Systemtic Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C29H35N6O+ MolecularWeight: 483.6278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=C5CCC6=CC=CC=C6C5=N4)C7CC7

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=C5CCC6=CC=CC=C6C5=N4)C7CC7

InChI

InChI=1S/C29H34N6O/c36-28(34-16-12-23(13-17-34)33-14-4-1-5-15-33)25-19-31-35(27(25)21-9-10-21)29-30-18-22-11-8-20-6-2-3-7-24(20)26(22)32-29/h2-3,6-7,18-19,21,23H,1,4-5,8-17H2/p+1