6,7-dimethoxy-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C25H27N4O5S+ MolecularWeight: 495.57068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

InChI

InChI=1S/C25H26N4O5S/c1-33-22-14-20-21(15-23(22)34-2)26-24(27-25(20)30)16-28-9-11-29(12-10-28)35(31,32)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,27,30)/p+1