3-(1,3-benzodioxol-5-ylmethyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-1H-quinazoline-2,4-dione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-1H-quinazoline-2,4-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1H-quinazoline-2,4-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-1H-quinazoline-2,4-dione Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-piperonyl-1H-quinazoline-2,4-quinone Formula: C27H31N4O5+ MolecularWeight: 491.55884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H30N4O5/c32-25(30-12-10-29(11-13-30)20-4-2-1-3-5-20)19-7-8-21-22(15-19)28-27(34)31(26(21)33)16-18-6-9-23-24(14-18)36-17-35-23/h6-9,14-15,20H,1-5,10-13,16-17H2,(H,28,34)/p+1