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

Systemtic Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-4-carboxamide Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CNC(=O)C2=C(N(N=C2)C3=NC=C4CCC5=CC=CC=C5C4=N3)C6CC6

Isomeric SMILES

C[NH+]1CCC(CC1)CNC(=O)C2=C(N(N=C2)C3=NC=C4CCC5=CC=CC=C5C4=N3)C6CC6

InChI

InChI=1S/C26H30N6O/c1-31-12-10-17(11-13-31)14-27-25(33)22-16-29-32(24(22)19-7-8-19)26-28-15-20-9-6-18-4-2-3-5-21(18)23(20)30-26/h2-5,15-17,19H,6-14H2,1H3,(H,27,33)/p+1