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

Systemtic Name: tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)pentyl]azanium Openeye Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)pentyl]ammonium CAS Name: 2-[oxo(9H-xanthen-9-yl)methoxy]pentyl-tripropylammonium IUPAC Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)pentyl]azanium Traditional Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)pentyl]ammonium Formula: C28H40NO3+ MolecularWeight: 438.6221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40NO3/c1-5-13-22(21-29(18-6-2,19-7-3)20-8-4)31-28(30)27-23-14-9-11-16-25(23)32-26-17-12-10-15-24(26)27/h9-12,14-17,22,27H,5-8,13,18-21H2,1-4H3/q+1