5,5-diethyl-2-(morpholin-4-ium-4-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: 5,5-diethyl-2-(morpholin-4-ium-4-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 5,5-diethyl-2-(morpholin-4-ium-4-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5,5-diethyl-2-(4-morpholin-4-iumylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 5,5-diethyl-2-(morpholin-4-ium-4-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 5,5-diethyl-2-(morpholin-4-ium-4-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)C[NH+]4CCOCC4)CC

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)C[NH+]4CCOCC4)CC

InChI

InChI=1S/C21H27N3O2/c1-3-21(4-2)13-15-7-5-6-8-16(15)19-18(21)20(25)23-17(22-19)14-24-9-11-26-12-10-24/h5-8H,3-4,9-14H2,1-2H3,(H,22,23,25)/p+1