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

Systemtic Name: 5,5-dimethyl-2-(piperidin-1-ium-1-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 5,5-dimethyl-2-(piperidin-1-ium-1-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-2-(1-piperidin-1-iumylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 5,5-dimethyl-2-(piperidin-1-ium-1-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 5,5-dimethyl-2-(piperidin-1-ium-1-ylmethyl)-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C20H25N3O/c1-20(2)12-14-8-4-5-9-15(14)18-17(20)19(24)22-16(21-18)13-23-10-6-3-7-11-23/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,22,24)/p+1