tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)butyl]azanium

Systemtic Name: tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)butyl]azanium Openeye Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium CAS Name: 2-[oxo(9H-xanthen-9-yl)methoxy]butyl-tripropylammonium IUPAC Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)butyl]azanium Traditional Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium Formula: C27H38NO3+ MolecularWeight: 424.59552

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC(CC)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

Isomeric SMILES

CCC[N+](CCC)(CCC)CC(CC)OC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C27H38NO3/c1-5-17-28(18-6-2,19-7-3)20-21(8-4)30-27(29)26-22-13-9-11-15-24(22)31-25-16-12-10-14-23(25)26/h9-16,21,26H,5-8,17-20H2,1-4H3/q+1