3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-[1-oxo-4-(1-pyrenyl)butoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylammonio)butyrate Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C27H29NO4/c1-28(2,3)17-22(16-24(29)30)32-25(31)9-5-6-18-10-11-21-13-12-19-7-4-8-20-14-15-23(18)27(21)26(19)20/h4,7-8,10-15,22H,5-6,9,16-17H2,1-3H3