2-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C22H28N4O+2 MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O/c1-16-7-3-4-8-18(16)15-25-11-13-26(14-12-25)17(2)21-23-20-10-6-5-9-19(20)22(27)24-21/h3-10,17H,11-15H2,1-2H3,(H,23,24,27)/p+2/t17-/m1/s1