(7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(4-isopropylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-methyl-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methyl-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-4-methyl-7-p-cumenyl-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C30H35N4O3+ MolecularWeight: 499.6239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)C)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@H](C2)C3=CC=C(C=C3)C(C)C)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H34N4O3/c1-19(2)22-5-7-23(8-6-22)24-15-25-29(26(35)16-24)20(3)31-30(32-25)34-12-10-33(11-13-34)17-21-4-9-27-28(14-21)37-18-36-27/h4-9,14,19,24H,10-13,15-18H2,1-3H3/p+1/t24-/m0/s1