2-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(3-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=C1)C[NH+]2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

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