(7S)-4,7-dimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-4,7-dimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-4,7-dimethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C(=O)C1

Isomeric SMILES

C[C@H]1CC2=C(C(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C(=O)C1

InChI

InChI=1S/C21H26N4O/c1-15-12-18-20(19(26)13-15)16(2)22-21(23-18)25-10-8-24(9-11-25)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3/p+1/t15-/m0/s1