3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-1H-quinazoline-2,4-dione Openeye Name: 3-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione Traditional Name: 3-[(1S)-2-methyl-1-(4-piperonylpiperazin-4-ium-1-carbonyl)propyl]-1H-quinazoline-2,4-quinone Formula: C25H29N4O5+ MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H28N4O5/c1-16(2)22(29-23(30)18-5-3-4-6-19(18)26-25(29)32)24(31)28-11-9-27(10-12-28)14-17-7-8-20-21(13-17)34-15-33-20/h3-8,13,16,22H,9-12,14-15H2,1-2H3,(H,26,32)/p+1/t22-/m0/s1