2-[(1R)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C23H30N4O2+2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-16-8-9-21(29-3)18(14-16)15-26-10-12-27(13-11-26)17(2)22-24-20-7-5-4-6-19(20)23(28)25-22/h4-9,14,17H,10-13,15H2,1-3H3,(H,24,25,28)/p+2/t17-/m1/s1