2-[6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]ethanoic acid Openeye Name: 2-[6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-4-oxo-4aH-quinazolin-3-ium-3-yl]acetic acid CAS Name: 2-[6-[4-[9H-fluoren-9-ylmethoxy(oxo)methyl]-1-piperazinyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]acetic acid IUPAC Name: 2-[6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-4-oxo-4aH-quinazolin-3-ium-3-yl]acetic acid Traditional Name: 2-[6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazino]-4-keto-4aH-quinazolin-3-ium-3-yl]acetic acid Formula: C29H27N4O5+ MolecularWeight: 511.54848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3C(=NC=[N+](C3=O)CC(=O)O)C=C2)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1CN(CCN1C2=CC3C(=NC=[N+](C3=O)CC(=O)O)C=C2)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C29H26N4O5/c34-27(35)16-33-18-30-26-10-9-19(15-24(26)28(33)36)31-11-13-32(14-12-31)29(37)38-17-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-10,15,18,24-25H,11-14,16-17H2/p+1