6-[5-[1-(2-azanylethyl)piperidin-1-ium-1-yl]sulfonyl-2-propoxy-phenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one

Systemtic Name: 6-[5-[1-(2-azanylethyl)piperidin-1-ium-1-yl]sulfonyl-2-propoxy-phenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one Openeye Name: 6-[5-[1-(2-aminoethyl)piperidin-1-ium-1-yl]sulfonyl-2-propoxy-phenyl]-1-benzyl-5H-imidazo[4,5-g]quinazolin-8-one CAS Name: 6-[5-[[1-(2-aminoethyl)-1-piperidin-1-iumyl]sulfonyl]-2-propoxyphenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one IUPAC Name: 6-[5-[1-(2-aminoethyl)piperidin-1-ium-1-yl]sulfonyl-2-propoxyphenyl]-1-benzyl-5H-imidazo[4,5-g]quinazolin-8-one Traditional Name: 6-[5-[1-(2-aminoethyl)piperidin-1-ium-1-yl]sulfonyl-2-propoxy-phenyl]-1-benzyl-5H-imidazo[4,5-g]quinazolin-8-one Formula: C32H37N6O4S+ MolecularWeight: 601.73898

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCCCC2)CCN)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5CC6=CC=CC=C6

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCCCC2)CCN)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5CC6=CC=CC=C6

InChI

InChI=1S/C32H36N6O4S/c1-2-17-42-30-12-11-24(43(40,41)38(16-13-33)14-7-4-8-15-38)18-26(30)31-35-27-20-28-29(19-25(27)32(39)36-31)37(22-34-28)21-23-9-5-3-6-10-23/h3,5-6,9-12,18-20,22H,2,4,7-8,13-17,21,33H2,1H3/p+1